1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide

C22H24N6O — CID 167312290

IUPAC1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
SMILESC[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1
InChIInChI=1S/C22H24N6O/c1-14-4-3-7-28(14)13-18-9-16-11-23-21(10-19(16)25-18)26-22(29)15-5-6-20-17(8-15)12-24-27(20)2/h5-6,8-12,14,25H,3-4,7,13H2,1-2H3,(H,23,26,29)/t14-/m0/s1
InChIKeyQRYISIPABXJVOQ-AWEZNQCLSA-N
MW388.48 g/mol
LogP3.69
Rot. Bonds4

About 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide

1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide (PubChem CID 167312290) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
PubChem CID167312290
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
SMILESC[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1
InChIInChI=1S/C22H24N6O/c1-14-4-3-7-28(14)13-18-9-16-11-23-21(10-19(16)25-18)26-22(29)15-5-6-20-17(8-15)12-24-27(20)2/h5-6,8-12,14,25H,3-4,7,13H2,1-2H3,(H,23,26,29)/t14-/m0/s1
InChIKeyQRYISIPABXJVOQ-AWEZNQCLSA-N
XLogP3.69
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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CID 73776931

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide (CID 167312290) is 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide is C[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(cnn4C)c3)cc2[nH]1.
What is the InChIKey of 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
The InChIKey is QRYISIPABXJVOQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-4-3-7-28(14)13-18-9-16-11-23-21(10-19(16)25-18)26-22(29)15-5-6-20-17(8-15)12-24-27(20)2/h5-6,8-12,14,25H,3-4,7,13H2,1-2H3,(H,23,26,29)/t14-/m0/s1.
What are the key properties of 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?
1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide is sourced from PubChem (CID 167312290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).