5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21ClFN7O — CID 137449145

IUPAC5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncc(Cl)cc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C21H21ClFN7O/c1-10(2)29-9-14(12-4-11(22)7-25-19(12)29)16-6-18(24-3)30-20(27-16)13(8-26-30)21(31)28-17-5-15(17)23/h4,6-10,15,17,24H,5H2,1-3H3,(H,28,31)/t15-,17+/m1/s1
InChIKeyNGBOXOZYPXPWCL-WBVHZDCISA-N
MW441.90 g/mol
LogP3.86
Rot. Bonds5

About 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449145) has the molecular formula C21H21ClFN7O and a molecular weight of 441.90 g/mol. Its IUPAC name is 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449145
Molecular FormulaC21H21ClFN7O
Molecular Weight441.90 g/mol
Exact Mass441.15
IUPAC Name5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncc(Cl)cc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C21H21ClFN7O/c1-10(2)29-9-14(12-4-11(22)7-25-19(12)29)16-6-18(24-3)30-20(27-16)13(8-26-30)21(31)28-17-5-15(17)23/h4,6-10,15,17,24H,5H2,1-3H3,(H,28,31)/t15-,17+/m1/s1
InChIKeyNGBOXOZYPXPWCL-WBVHZDCISA-N
XLogP3.86
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449145) is 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3ncc(Cl)cc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NGBOXOZYPXPWCL-WBVHZDCISA-N. The full InChI is InChI=1S/C21H21ClFN7O/c1-10(2)29-9-14(12-4-11(22)7-25-19(12)29)16-6-18(24-3)30-20(27-16)13(8-26-30)21(31)28-17-5-15(17)23/h4,6-10,15,17,24H,5H2,1-3H3,(H,28,31)/t15-,17+/m1/s1.
What are the key properties of 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.90 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).