N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H21FN8O — CID 146383306

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2nn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H21FN8O/c1-10(2)28-18-11(5-4-6-23-18)17(27-28)15-8-16(22-3)29-19(25-15)12(9-24-29)20(30)26-14-7-13(14)21/h4-6,8-10,13-14,22H,7H2,1-3H3,(H,26,30)/t13-,14+/m1/s1
InChIKeyWKWGXLVCDQFKCS-KGLIPLIRSA-N
MW408.44 g/mol
LogP2.60
Rot. Bonds5

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383306) has the molecular formula C20H21FN8O and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146383306
Molecular FormulaC20H21FN8O
Molecular Weight408.44 g/mol
Exact Mass408.18
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2nn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H21FN8O/c1-10(2)28-18-11(5-4-6-23-18)17(27-28)15-8-16(22-3)29-19(25-15)12(9-24-29)20(30)26-14-7-13(14)21/h4-6,8-10,13-14,22H,7H2,1-3H3,(H,26,30)/t13-,14+/m1/s1
InChIKeyWKWGXLVCDQFKCS-KGLIPLIRSA-N
XLogP2.60
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383306) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-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-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2nn(C(C)C)c3ncccc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WKWGXLVCDQFKCS-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H21FN8O/c1-10(2)28-18-11(5-4-6-23-18)17(27-28)15-8-16(22-3)29-19(25-15)12(9-24-29)20(30)26-14-7-13(14)21/h4-6,8-10,13-14,22H,7H2,1-3H3,(H,26,30)/t13-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrazolo[5,4-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).