N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide

C26H25N7O — CID 156794323

IUPACN-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide
SMILESC[C@H]1CCCN1Cc1cc2cnc(-c3cc(NC(=O)c4ccc5[nH]ncc5c4)ccn3)cc2[nH]1
InChIInChI=1S/C26H25N7O/c1-16-3-2-8-33(16)15-21-10-19-13-28-25(12-23(19)30-21)24-11-20(6-7-27-24)31-26(34)17-4-5-22-18(9-17)14-29-32-22/h4-7,9-14,16,30H,2-3,8,15H2,1H3,(H,29,32)(H,27,31,34)/t16-/m0/s1
InChIKeyROPYFJGVKNYDGZ-INIZCTEOSA-N
MW451.53 g/mol
LogP4.74
Rot. Bonds5

About N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide

N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide (PubChem CID 156794323) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide
PubChem CID156794323
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC NameN-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide
SMILESC[C@H]1CCCN1Cc1cc2cnc(-c3cc(NC(=O)c4ccc5[nH]ncc5c4)ccn3)cc2[nH]1
InChIInChI=1S/C26H25N7O/c1-16-3-2-8-33(16)15-21-10-19-13-28-25(12-23(19)30-21)24-11-20(6-7-27-24)31-26(34)17-4-5-22-18(9-17)14-29-32-22/h4-7,9-14,16,30H,2-3,8,15H2,1H3,(H,29,32)(H,27,31,34)/t16-/m0/s1
InChIKeyROPYFJGVKNYDGZ-INIZCTEOSA-N
XLogP4.74
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide
CID 156523487
N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide
CID 156503327
4-carbamimidoyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]benzamide
CID 167321951
4-imidazol-1-yl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]benzamide
CID 156523294
N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide
CID 167321974
3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide
CID 156503329
4-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoic acid
CID 163266294
N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 110468858
methyl 3-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 167508308
N-(3-piperidin-1-ylphenyl)-1H-indazole-5-carboxamide
CID 166219800
N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
CID 50980549
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide (CID 156794323) is N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide is C[C@H]1CCCN1Cc1cc2cnc(-c3cc(NC(=O)c4ccc5[nH]ncc5c4)ccn3)cc2[nH]1.
What is the InChIKey of N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide?
The InChIKey is ROPYFJGVKNYDGZ-INIZCTEOSA-N. The full InChI is InChI=1S/C26H25N7O/c1-16-3-2-8-33(16)15-21-10-19-13-28-25(12-23(19)30-21)24-11-20(6-7-27-24)31-26(34)17-4-5-22-18(9-17)14-29-32-22/h4-7,9-14,16,30H,2-3,8,15H2,1H3,(H,29,32)(H,27,31,34)/t16-/m0/s1.
What are the key properties of N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide?
N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 156794323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).