1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one

C103H113N21O4 — CID 158246027

IUPAC1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1[nH]ncc1-c1ccc2c(cnn2CC2CCN(C(=O)CCc3ccccc3)CC2)c1.Cn1cc(-c2ccc3c(cnn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)cn1.Cn1cc(-c2ccc3c(cnn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)nn1.O=C(CCc1ccccc1)N1CCC(Cn2ncc3cc(-c4cnccn4)ccc32)CC1
InChIInChI=1S/2C26H29N5O.C26H27N5O.C25H28N6O/c1-29-19-24(17-27-29)22-8-9-25-23(15-22)16-28-31(25)18-21-11-13-30(14-12-21)26(32)10-7-20-5-3-2-4-6-20;1-19-24(17-27-29-19)22-8-9-25-23(15-22)16-28-31(25)18-21-11-13-30(14-12-21)26(32)10-7-20-5-3-2-4-6-20;32-26(9-6-20-4-2-1-3-5-20)30-14-10-21(11-15-30)19-31-25-8-7-22(16-23(25)17-29-31)24-18-27-12-13-28-24;1-29-18-23(27-28-29)21-8-9-24-22(15-21)16-26-31(24)17-20-11-13-30(14-12-20)25(32)10-7-19-5-3-2-4-6-19/h2-6,8-9,15-17,19,21H,7,10-14,18H2,1H3;2-6,8-9,15-17,21H,7,10-14,18H2,1H3,(H,27,29);1-5,7-8,12-13,16-18,21H,6,9-11,14-15,19H2;2-6,8-9,15-16,18,20H,7,10-14,17H2,1H3
InChIKeyGGCXQANHRBMRGI-UHFFFAOYSA-N
MW1709.18 g/mol
LogP16.98
Rot. Bonds24

About 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one

1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 158246027) has the molecular formula C103H113N21O4 and a molecular weight of 1709.18 g/mol. Its IUPAC name is 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID158246027
Molecular FormulaC103H113N21O4
Molecular Weight1709.18 g/mol
Exact Mass1707.93
IUPAC Name1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1[nH]ncc1-c1ccc2c(cnn2CC2CCN(C(=O)CCc3ccccc3)CC2)c1.Cn1cc(-c2ccc3c(cnn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)cn1.Cn1cc(-c2ccc3c(cnn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)nn1.O=C(CCc1ccccc1)N1CCC(Cn2ncc3cc(-c4cnccn4)ccc32)CC1
InChIInChI=1S/2C26H29N5O.C26H27N5O.C25H28N6O/c1-29-19-24(17-27-29)22-8-9-25-23(15-22)16-28-31(25)18-21-11-13-30(14-12-21)26(32)10-7-20-5-3-2-4-6-20;1-19-24(17-27-29-19)22-8-9-25-23(15-22)16-28-31(25)18-21-11-13-30(14-12-21)26(32)10-7-20-5-3-2-4-6-20;32-26(9-6-20-4-2-1-3-5-20)30-14-10-21(11-15-30)19-31-25-8-7-22(16-23(25)17-29-31)24-18-27-12-13-28-24;1-29-18-23(27-28-29)21-8-9-24-22(15-21)16-26-31(24)17-20-11-13-30(14-12-20)25(32)10-7-19-5-3-2-4-6-19/h2-6,8-9,15-17,19,21H,7,10-14,18H2,1H3;2-6,8-9,15-17,21H,7,10-14,18H2,1H3,(H,27,29);1-5,7-8,12-13,16-18,21H,6,9-11,14-15,19H2;2-6,8-9,15-16,18,20H,7,10-14,17H2,1H3
InChIKeyGGCXQANHRBMRGI-UHFFFAOYSA-N
XLogP16.98
TPSA255.51 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001709.18
LogP ≤ 516.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 158246027) is 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one is Cc1[nH]ncc1-c1ccc2c(cnn2CC2CCN(C(=O)CCc3ccccc3)CC2)c1.Cn1cc(-c2ccc3c(cnn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)cn1.Cn1cc(-c2ccc3c(cnn3CC3CCN(C(=O)CCc4ccccc4)CC3)c2)nn1.O=C(CCc1ccccc1)N1CCC(Cn2ncc3cc(-c4cnccn4)ccc32)CC1.
What is the InChIKey of 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is GGCXQANHRBMRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H29N5O.C26H27N5O.C25H28N6O/c1-29-19-24(17-27-29)22-8-9-25-23(15-22)16-28-31(25)18-21-11-13-30(14-12-21)26(32)10-7-20-5-3-2-4-6-20;1-19-24(17-27-29-19)22-8-9-25-23(15-22)16-28-31(25)18-21-11-13-30(14-12-21)26(32)10-7-20-5-3-2-4-6-20;32-26(9-6-20-4-2-1-3-5-20)30-14-10-21(11-15-30)19-31-25-8-7-22(16-23(25)17-29-31)24-18-27-12-13-28-24;1-29-18-23(27-28-29)21-8-9-24-22(15-21)16-26-31(24)17-20-11-13-30(14-12-20)25(32)10-7-19-5-3-2-4-6-19/h2-6,8-9,15-17,19,21H,7,10-14,18H2,1H3;2-6,8-9,15-17,21H,7,10-14,18H2,1H3,(H,27,29);1-5,7-8,12-13,16-18,21H,6,9-11,14-15,19H2;2-6,8-9,15-16,18,20H,7,10-14,17H2,1H3.
What are the key properties of 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 1709.18 g/mol, XLogP of 16.98, 24 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylindazol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 158246027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).