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

C18H20FN7O2 — CID 154702452

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cnc2OC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C18H20FN7O2/c1-9-4-13(18(28-3)21-7-9)23-14-6-15(20-2)26-16(25-14)10(8-22-26)17(27)24-12-5-11(12)19/h4,6-8,11-12,20H,5H2,1-3H3,(H,23,25)(H,24,27)/t11-,12+/m1/s1
InChIKeyYJKWLEKNYPJNSV-NEPJUHHUSA-N
MW385.40 g/mol
LogP2.07
Rot. Bonds6

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

N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154702452) has the molecular formula C18H20FN7O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154702452
Molecular FormulaC18H20FN7O2
Molecular Weight385.40 g/mol
Exact Mass385.17
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cnc2OC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C18H20FN7O2/c1-9-4-13(18(28-3)21-7-9)23-14-6-15(20-2)26-16(25-14)10(8-22-26)17(27)24-12-5-11(12)19/h4,6-8,11-12,20H,5H2,1-3H3,(H,23,25)(H,24,27)/t11-,12+/m1/s1
InChIKeyYJKWLEKNYPJNSV-NEPJUHHUSA-N
XLogP2.07
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.07
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]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154702452) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(C)cnc2OC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YJKWLEKNYPJNSV-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H20FN7O2/c1-9-4-13(18(28-3)21-7-9)23-14-6-15(20-2)26-16(25-14)10(8-22-26)17(27)24-12-5-11(12)19/h4,6-8,11-12,20H,5H2,1-3H3,(H,23,25)(H,24,27)/t11-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 2.07, 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]-5-[(2-methoxy-5-methyl-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154702452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).