N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20FN9O2 — CID 137449372

IUPACN-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C20H20FN9O2/c1-22-17-6-16(27-18-14(8-24-30(17)18)19(31)25-12-3-4-12)26-15-5-11(21)9-29(20(15)32)13-7-23-28(2)10-13/h5-10,12,22H,3-4H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyIJNDQPAZZIBPPW-UHFFFAOYSA-N
MW437.44 g/mol
LogP1.43
Rot. Bonds6

About N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449372) has the molecular formula C20H20FN9O2 and a molecular weight of 437.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449372
Molecular FormulaC20H20FN9O2
Molecular Weight437.44 g/mol
Exact Mass437.17
IUPAC NameN-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C20H20FN9O2/c1-22-17-6-16(27-18-14(8-24-30(17)18)19(31)25-12-3-4-12)26-15-5-11(21)9-29(20(15)32)13-7-23-28(2)10-13/h5-10,12,22H,3-4H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyIJNDQPAZZIBPPW-UHFFFAOYSA-N
XLogP1.43
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449372) is N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IJNDQPAZZIBPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN9O2/c1-22-17-6-16(27-18-14(8-24-30(17)18)19(31)25-12-3-4-12)26-15-5-11(21)9-29(20(15)32)13-7-23-28(2)10-13/h5-10,12,22H,3-4H2,1-2H3,(H,25,31)(H,26,27).
What are the key properties of N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[5-fluoro-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).