7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C23H19F2N9O2 — CID 70847559

IUPAC7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)F)n2nc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2n1
InChIInChI=1S/C23H19F2N9O2/c1-11(2)33-9-16(15-8-27-10-28-21(15)33)18(35)13-5-14(7-26-6-13)30-22(36)20-31-23-29-12(3)4-17(19(24)25)34(23)32-20/h4-11,19H,1-3H3,(H,30,36)
InChIKeyRPUVSKBCFBLZLN-UHFFFAOYSA-N
MW491.46 g/mol
LogP3.57
Rot. Bonds6

About 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 70847559) has the molecular formula C23H19F2N9O2 and a molecular weight of 491.46 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID70847559
Molecular FormulaC23H19F2N9O2
Molecular Weight491.46 g/mol
Exact Mass491.16
IUPAC Name7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)F)n2nc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2n1
InChIInChI=1S/C23H19F2N9O2/c1-11(2)33-9-16(15-8-27-10-28-21(15)33)18(35)13-5-14(7-26-6-13)30-22(36)20-31-23-29-12(3)4-17(19(24)25)34(23)32-20/h4-11,19H,1-3H3,(H,30,36)
InChIKeyRPUVSKBCFBLZLN-UHFFFAOYSA-N
XLogP3.57
TPSA132.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 70847559) is 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)F)n2nc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)nc2n1.
What is the InChIKey of 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RPUVSKBCFBLZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N9O2/c1-11(2)33-9-16(15-8-27-10-28-21(15)33)18(35)13-5-14(7-26-6-13)30-22(36)20-31-23-29-12(3)4-17(19(24)25)34(23)32-20/h4-11,19H,1-3H3,(H,30,36).
What are the key properties of 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 491.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 70847559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).