(2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide

C18H19F2N7O — CID 90376839

IUPAC(2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
SMILESCC(F)(F)CNC(=O)[C@H]1CCCN1c1ncnc(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C18H19F2N7O/c1-18(19,20)9-23-16(28)13-5-3-7-27(13)17-25-10-24-15(26-17)12-8-22-14-11(12)4-2-6-21-14/h2,4,6,8,10,13H,3,5,7,9H2,1H3,(H,21,22)(H,23,28)/t13-/m1/s1
InChIKeyQQVIOVDWBQMPND-CYBMUJFWSA-N
MW387.39 g/mol
LogP2.16
Rot. Bonds5

About (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide

(2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 90376839) has the molecular formula C18H19F2N7O and a molecular weight of 387.39 g/mol. Its IUPAC name is (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
PubChem CID90376839
Molecular FormulaC18H19F2N7O
Molecular Weight387.39 g/mol
Exact Mass387.16
IUPAC Name(2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
SMILESCC(F)(F)CNC(=O)[C@H]1CCCN1c1ncnc(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C18H19F2N7O/c1-18(19,20)9-23-16(28)13-5-3-7-27(13)17-25-10-24-15(26-17)12-8-22-14-11(12)4-2-6-21-14/h2,4,6,8,10,13H,3,5,7,9H2,1H3,(H,21,22)(H,23,28)/t13-/m1/s1
InChIKeyQQVIOVDWBQMPND-CYBMUJFWSA-N
XLogP2.16
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide (CID 90376839) is (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide is CC(F)(F)CNC(=O)[C@H]1CCCN1c1ncnc(-c2c[nH]c3ncccc23)n1.
What is the InChIKey of (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is QQVIOVDWBQMPND-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-18(19,20)9-23-16(28)13-5-3-7-27(13)17-25-10-24-15(26-17)12-8-22-14-11(12)4-2-6-21-14/h2,4,6,8,10,13H,3,5,7,9H2,1H3,(H,21,22)(H,23,28)/t13-/m1/s1.
What are the key properties of (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide?
(2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,2-difluoropropyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90376839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).