1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide

C23H24N6O — CID 176732932

IUPAC1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide
SMILESCN1CCC[C@@H]1c1cc2ncc(NC(=O)c3ccc4cnn(C5CC5)c4c3)cc2[nH]1
InChIInChI=1S/C23H24N6O/c1-28-8-2-3-21(28)20-11-18-19(27-20)10-16(13-24-18)26-23(30)14-4-5-15-12-25-29(17-6-7-17)22(15)9-14/h4-5,9-13,17,21,27H,2-3,6-8H2,1H3,(H,26,30)/t21-/m1/s1
InChIKeyANXBMKCCDOWCEO-OAQYLSRUSA-N
MW400.49 g/mol
LogP4.27
Rot. Bonds4

About 1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide

1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide (PubChem CID 176732932) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide
PubChem CID176732932
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide
SMILESCN1CCC[C@@H]1c1cc2ncc(NC(=O)c3ccc4cnn(C5CC5)c4c3)cc2[nH]1
InChIInChI=1S/C23H24N6O/c1-28-8-2-3-21(28)20-11-18-19(27-20)10-16(13-24-18)26-23(30)14-4-5-15-12-25-29(17-6-7-17)22(15)9-14/h4-5,9-13,17,21,27H,2-3,6-8H2,1H3,(H,26,30)/t21-/m1/s1
InChIKeyANXBMKCCDOWCEO-OAQYLSRUSA-N
XLogP4.27
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide (CID 176732932) is 1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide is CN1CCC[C@@H]1c1cc2ncc(NC(=O)c3ccc4cnn(C5CC5)c4c3)cc2[nH]1.
What is the InChIKey of 1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide?
The InChIKey is ANXBMKCCDOWCEO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N6O/c1-28-8-2-3-21(28)20-11-18-19(27-20)10-16(13-24-18)26-23(30)14-4-5-15-12-25-29(17-6-7-17)22(15)9-14/h4-5,9-13,17,21,27H,2-3,6-8H2,1H3,(H,26,30)/t21-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide?
1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-b]pyridin-6-yl]indazole-6-carboxamide is sourced from PubChem (CID 176732932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).