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

C22H23FN8O2 — CID 137449181

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-n2cc(N3CCOCC3)c3ncccc32)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H23FN8O2/c1-24-18-10-19(28-21-13(11-26-31(18)21)22(32)27-15-9-14(15)23)30-12-17(29-5-7-33-8-6-29)20-16(30)3-2-4-25-20/h2-4,10-12,14-15,24H,5-9H2,1H3,(H,27,32)/t14-,15+/m1/s1
InChIKeyLMGXOMPVKJCPTP-CABCVRRESA-N
MW450.48 g/mol
LogP1.79
Rot. Bonds5

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

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449181) has the molecular formula C22H23FN8O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449181
Molecular FormulaC22H23FN8O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-n2cc(N3CCOCC3)c3ncccc32)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C22H23FN8O2/c1-24-18-10-19(28-21-13(11-26-31(18)21)22(32)27-15-9-14(15)23)30-12-17(29-5-7-33-8-6-29)20-16(30)3-2-4-25-20/h2-4,10-12,14-15,24H,5-9H2,1H3,(H,27,32)/t14-,15+/m1/s1
InChIKeyLMGXOMPVKJCPTP-CABCVRRESA-N
XLogP1.79
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449181) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-n2cc(N3CCOCC3)c3ncccc32)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LMGXOMPVKJCPTP-CABCVRRESA-N. The full InChI is InChI=1S/C22H23FN8O2/c1-24-18-10-19(28-21-13(11-26-31(18)21)22(32)27-15-9-14(15)23)30-12-17(29-5-7-33-8-6-29)20-16(30)3-2-4-25-20/h2-4,10-12,14-15,24H,5-9H2,1H3,(H,27,32)/t14-,15+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(3-morpholin-4-ylpyrrolo[3,2-b]pyridin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).