N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide

C24H32N8O2 — CID 90183286

IUPACN-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NC3CNC3)cn4C(C)C)n2)CC1
InChIInChI=1S/C24H32N8O2/c1-15(2)32-14-19(23(33)28-16-11-25-12-16)18-13-27-22(10-20(18)32)29-21-4-7-26-24(30-21)31-8-5-17(34-3)6-9-31/h4,7,10,13-17,25H,5-6,8-9,11-12H2,1-3H3,(H,28,33)(H,26,27,29,30)
InChIKeyDLTCLUYKEVQMEQ-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.47
Rot. Bonds7

About N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide

N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 90183286) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID90183286
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC NameN-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NC3CNC3)cn4C(C)C)n2)CC1
InChIInChI=1S/C24H32N8O2/c1-15(2)32-14-19(23(33)28-16-11-25-12-16)18-13-27-22(10-20(18)32)29-21-4-7-26-24(30-21)31-8-5-17(34-3)6-9-31/h4,7,10,13-17,25H,5-6,8-9,11-12H2,1-3H3,(H,28,33)(H,26,27,29,30)
InChIKeyDLTCLUYKEVQMEQ-UHFFFAOYSA-N
XLogP2.47
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide (CID 90183286) is N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide is COC1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NC3CNC3)cn4C(C)C)n2)CC1.
What is the InChIKey of N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is DLTCLUYKEVQMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-15(2)32-14-19(23(33)28-16-11-25-12-16)18-13-27-22(10-20(18)32)29-21-4-7-26-24(30-21)31-8-5-17(34-3)6-9-31/h4,7,10,13-17,25H,5-6,8-9,11-12H2,1-3H3,(H,28,33)(H,26,27,29,30).
What are the key properties of N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide?
N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 90183286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).