2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole

C28H27N5O — CID 137113693

IUPAC2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole
SMILESc1ccc(COc2cncc(-c3cc(-c4cc5c(N6CCCCC6)cccc5[nH]4)[nH]n3)c2)cc1
InChIInChI=1S/C28H27N5O/c1-3-8-20(9-4-1)19-34-22-14-21(17-29-18-22)25-16-27(32-31-25)26-15-23-24(30-26)10-7-11-28(23)33-12-5-2-6-13-33/h1,3-4,7-11,14-18,30H,2,5-6,12-13,19H2,(H,31,32)
InChIKeyTWNZVPUVWNZJHM-UHFFFAOYSA-N
MW449.56 g/mol
LogP6.19
Rot. Bonds6

About 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole

2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole (PubChem CID 137113693) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole.

Molecular Properties

Compound Name2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole
PubChem CID137113693
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC Name2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole
SMILESc1ccc(COc2cncc(-c3cc(-c4cc5c(N6CCCCC6)cccc5[nH]4)[nH]n3)c2)cc1
InChIInChI=1S/C28H27N5O/c1-3-8-20(9-4-1)19-34-22-14-21(17-29-18-22)25-16-27(32-31-25)26-15-23-24(30-26)10-7-11-28(23)33-12-5-2-6-13-33/h1,3-4,7-11,14-18,30H,2,5-6,12-13,19H2,(H,31,32)
InChIKeyTWNZVPUVWNZJHM-UHFFFAOYSA-N
XLogP6.19
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole with MolForge

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Related Compounds

3-(5-phenylmethoxy-3-pyridinyl)-5-(4-piperidin-1-yl-1H-indol-2-yl)-7,8-dihydropyrido[2,3-d]pyridazine
CID 145245475
4-pyridin-4-yl-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
CID 137114557
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 137109793
N,N-dimethyl-2-[[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310744
4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-c]pyridine
CID 137040605
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137280458
4-(4-methylpiperazin-1-yl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-1H-indole
CID 137041220
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137280752
3-(1H-indol-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137103293
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115804
4-(4-methylpiperazin-1-yl)-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 137109029
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115143

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole?
The IUPAC name of 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole (CID 137113693) is 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole.
What is the SMILES notation for 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole?
The canonical SMILES for 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole is c1ccc(COc2cncc(-c3cc(-c4cc5c(N6CCCCC6)cccc5[nH]4)[nH]n3)c2)cc1.
What is the InChIKey of 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole?
The InChIKey is TWNZVPUVWNZJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-3-8-20(9-4-1)19-34-22-14-21(17-29-18-22)25-16-27(32-31-25)26-15-23-24(30-26)10-7-11-28(23)33-12-5-2-6-13-33/h1,3-4,7-11,14-18,30H,2,5-6,12-13,19H2,(H,31,32).
What are the key properties of 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole?
2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole has a molecular weight of 449.56 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole is sourced from PubChem (CID 137113693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).