N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23FN8O — CID 137449369

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(N3CCCC3)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H23FN8O/c1-22-18-10-16(25-15-5-4-6-17(26-15)28-7-2-3-8-28)27-19-12(11-23-29(18)19)20(30)24-14-9-13(14)21/h4-6,10-11,13-14,22H,2-3,7-9H2,1H3,(H,24,30)(H,25,26,27)/t13-,14+/m1/s1
InChIKeyXVCPPMBABFUDJZ-KGLIPLIRSA-N
MW410.46 g/mol
LogP2.35
Rot. Bonds6

About N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449369) has the molecular formula C20H23FN8O and a molecular weight of 410.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449369
Molecular FormulaC20H23FN8O
Molecular Weight410.46 g/mol
Exact Mass410.20
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(N3CCCC3)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C20H23FN8O/c1-22-18-10-16(25-15-5-4-6-17(26-15)28-7-2-3-8-28)27-19-12(11-23-29(18)19)20(30)24-14-9-13(14)21/h4-6,10-11,13-14,22H,2-3,7-9H2,1H3,(H,24,30)(H,25,26,27)/t13-,14+/m1/s1
InChIKeyXVCPPMBABFUDJZ-KGLIPLIRSA-N
XLogP2.35
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449369) is N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc(N3CCCC3)n2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XVCPPMBABFUDJZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H23FN8O/c1-22-18-10-16(25-15-5-4-6-17(26-15)28-7-2-3-8-28)27-19-12(11-23-29(18)19)20(30)24-14-9-13(14)21/h4-6,10-11,13-14,22H,2-3,7-9H2,1H3,(H,24,30)(H,25,26,27)/t13-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 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-[(6-pyrrolidin-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).