(5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone

C26H29F2N7O2 — CID 145330092

IUPAC(5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
SMILESCC1CCC(N)CN1C(=O)c1cnc2c(c1)nc(-c1cc3ccc(OC(F)F)nc3n1CC1CC1)n2C
InChIInChI=1S/C26H29F2N7O2/c1-14-3-7-18(29)13-34(14)25(36)17-9-19-23(30-11-17)33(2)24(31-19)20-10-16-6-8-21(37-26(27)28)32-22(16)35(20)12-15-4-5-15/h6,8-11,14-15,18,26H,3-5,7,12-13,29H2,1-2H3
InChIKeyKBXAHRFFJIFGQV-UHFFFAOYSA-N
MW509.56 g/mol
LogP3.95
Rot. Bonds6

About (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone

(5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone (PubChem CID 145330092) has the molecular formula C26H29F2N7O2 and a molecular weight of 509.56 g/mol. Its IUPAC name is (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
PubChem CID145330092
Molecular FormulaC26H29F2N7O2
Molecular Weight509.56 g/mol
Exact Mass509.24
IUPAC Name(5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
SMILESCC1CCC(N)CN1C(=O)c1cnc2c(c1)nc(-c1cc3ccc(OC(F)F)nc3n1CC1CC1)n2C
InChIInChI=1S/C26H29F2N7O2/c1-14-3-7-18(29)13-34(14)25(36)17-9-19-23(30-11-17)33(2)24(31-19)20-10-16-6-8-21(37-26(27)28)32-22(16)35(20)12-15-4-5-15/h6,8-11,14-15,18,26H,3-5,7,12-13,29H2,1-2H3
InChIKeyKBXAHRFFJIFGQV-UHFFFAOYSA-N
XLogP3.95
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone?
The IUPAC name of (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone (CID 145330092) is (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone.
What is the SMILES notation for (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone?
The canonical SMILES for (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone is CC1CCC(N)CN1C(=O)c1cnc2c(c1)nc(-c1cc3ccc(OC(F)F)nc3n1CC1CC1)n2C.
What is the InChIKey of (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone?
The InChIKey is KBXAHRFFJIFGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O2/c1-14-3-7-18(29)13-34(14)25(36)17-9-19-23(30-11-17)33(2)24(31-19)20-10-16-6-8-21(37-26(27)28)32-22(16)35(20)12-15-4-5-15/h6,8-11,14-15,18,26H,3-5,7,12-13,29H2,1-2H3.
What are the key properties of (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone?
(5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 509.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylpiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 145330092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).