5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C18H19F2N7 — CID 168773923

IUPAC5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc2ccc(-c3c[nH]c4nc(NC(C)C)ncc34)nc2n1CC(F)F
InChIInChI=1S/C18H19F2N7/c1-9(2)23-18-22-7-12-11(6-21-16(12)26-18)13-4-5-14-17(25-13)27(8-15(19)20)10(3)24-14/h4-7,9,15H,8H2,1-3H3,(H2,21,22,23,26)
InChIKeyKOGPQOROLSUNOK-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.76
Rot. Bonds5

About 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168773923) has the molecular formula C18H19F2N7 and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168773923
Molecular FormulaC18H19F2N7
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc2ccc(-c3c[nH]c4nc(NC(C)C)ncc34)nc2n1CC(F)F
InChIInChI=1S/C18H19F2N7/c1-9(2)23-18-22-7-12-11(6-21-16(12)26-18)13-4-5-14-17(25-13)27(8-15(19)20)10(3)24-14/h4-7,9,15H,8H2,1-3H3,(H2,21,22,23,26)
InChIKeyKOGPQOROLSUNOK-UHFFFAOYSA-N
XLogP3.76
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168773923) is 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1nc2ccc(-c3c[nH]c4nc(NC(C)C)ncc34)nc2n1CC(F)F.
What is the InChIKey of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is KOGPQOROLSUNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7/c1-9(2)23-18-22-7-12-11(6-21-16(12)26-18)13-4-5-14-17(25-13)27(8-15(19)20)10(3)24-14/h4-7,9,15H,8H2,1-3H3,(H2,21,22,23,26).
What are the key properties of 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 371.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168773923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).