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

C22H24FN7O — CID 137449345

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncc(C)cc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H24FN7O/c1-11(2)29-10-15(13-5-12(3)8-25-20(13)29)17-7-19(24-4)30-21(27-17)14(9-26-30)22(31)28-18-6-16(18)23/h5,7-11,16,18,24H,6H2,1-4H3,(H,28,31)/t16-,18+/m1/s1
InChIKeyHHQXWARZHINIPR-AEFFLSMTSA-N
MW421.48 g/mol
LogP3.52
Rot. Bonds5

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

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449345) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449345
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C(C)C)c3ncc(C)cc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H24FN7O/c1-11(2)29-10-15(13-5-12(3)8-25-20(13)29)17-7-19(24-4)30-21(27-17)14(9-26-30)22(31)28-18-6-16(18)23/h5,7-11,16,18,24H,6H2,1-4H3,(H,28,31)/t16-,18+/m1/s1
InChIKeyHHQXWARZHINIPR-AEFFLSMTSA-N
XLogP3.52
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449345) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3ncc(C)cc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HHQXWARZHINIPR-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-11(2)29-10-15(13-5-12(3)8-25-20(13)29)17-7-19(24-4)30-21(27-17)14(9-26-30)22(31)28-18-6-16(18)23/h5,7-11,16,18,24H,6H2,1-4H3,(H,28,31)/t16-,18+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).