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

C17H18FN7O2 — CID 137449132

IUPACN-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C17H18FN7O2/c1-19-14-7-13(22-11-4-3-5-20-17(11)27-2)24-15-9(8-21-25(14)15)16(26)23-12-6-10(12)18/h3-5,7-8,10,12,19H,6H2,1-2H3,(H,22,24)(H,23,26)/t10-,12+/m1/s1
InChIKeyYZOKUMJZXRAVNQ-PWSUYJOCSA-N
MW371.38 g/mol
LogP1.76
Rot. Bonds6

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

N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449132) has the molecular formula C17H18FN7O2 and a molecular weight of 371.38 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449132
Molecular FormulaC17H18FN7O2
Molecular Weight371.38 g/mol
Exact Mass371.15
IUPAC NameN-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C17H18FN7O2/c1-19-14-7-13(22-11-4-3-5-20-17(11)27-2)24-15-9(8-21-25(14)15)16(26)23-12-6-10(12)18/h3-5,7-8,10,12,19H,6H2,1-2H3,(H,22,24)(H,23,26)/t10-,12+/m1/s1
InChIKeyYZOKUMJZXRAVNQ-PWSUYJOCSA-N
XLogP1.76
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 51.76
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-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449132) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-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-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YZOKUMJZXRAVNQ-PWSUYJOCSA-N. The full InChI is InChI=1S/C17H18FN7O2/c1-19-14-7-13(22-11-4-3-5-20-17(11)27-2)24-15-9(8-21-25(14)15)16(26)23-12-6-10(12)18/h3-5,7-8,10,12,19H,6H2,1-2H3,(H,22,24)(H,23,26)/t10-,12+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 1.76, 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-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).