2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide

C25H31N5O2 — CID 134809168

IUPAC2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
SMILESCC(C)(Oc1nn(CC2CC2)c2ccc(CN3CCCC3)cc12)C(=O)Nc1cccnc1
InChIInChI=1S/C25H31N5O2/c1-25(2,24(31)27-20-6-5-11-26-15-20)32-23-21-14-19(16-29-12-3-4-13-29)9-10-22(21)30(28-23)17-18-7-8-18/h5-6,9-11,14-15,18H,3-4,7-8,12-13,16-17H2,1-2H3,(H,27,31)
InChIKeyZROXOPXCOKYKKV-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.23
Rot. Bonds8

About 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide

2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide (PubChem CID 134809168) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
PubChem CID134809168
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
SMILESCC(C)(Oc1nn(CC2CC2)c2ccc(CN3CCCC3)cc12)C(=O)Nc1cccnc1
InChIInChI=1S/C25H31N5O2/c1-25(2,24(31)27-20-6-5-11-26-15-20)32-23-21-14-19(16-29-12-3-4-13-29)9-10-22(21)30(28-23)17-18-7-8-18/h5-6,9-11,14-15,18H,3-4,7-8,12-13,16-17H2,1-2H3,(H,27,31)
InChIKeyZROXOPXCOKYKKV-UHFFFAOYSA-N
XLogP4.23
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide (CID 134809168) is 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide is CC(C)(Oc1nn(CC2CC2)c2ccc(CN3CCCC3)cc12)C(=O)Nc1cccnc1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide?
The InChIKey is ZROXOPXCOKYKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-25(2,24(31)27-20-6-5-11-26-15-20)32-23-21-14-19(16-29-12-3-4-13-29)9-10-22(21)30(28-23)17-18-7-8-18/h5-6,9-11,14-15,18H,3-4,7-8,12-13,16-17H2,1-2H3,(H,27,31).
What are the key properties of 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide?
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide has a molecular weight of 433.56 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 134809168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).