N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20FN9O — CID 137449211

IUPACN-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(-c3cn(C)nc3F)n2)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C20H20FN9O/c1-22-17-8-16(27-19-12(9-23-30(17)19)20(31)24-11-6-7-11)26-15-5-3-4-14(25-15)13-10-29(2)28-18(13)21/h3-5,8-11,22H,6-7H2,1-2H3,(H,24,31)(H,25,26,27)
InChIKeyKNKSYWDFDISRIU-UHFFFAOYSA-N
MW421.44 g/mol
LogP2.34
Rot. Bonds6

About N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449211) has the molecular formula C20H20FN9O and a molecular weight of 421.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449211
Molecular FormulaC20H20FN9O
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC NameN-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc(-c3cn(C)nc3F)n2)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C20H20FN9O/c1-22-17-8-16(27-19-12(9-23-30(17)19)20(31)24-11-6-7-11)26-15-5-3-4-14(25-15)13-10-29(2)28-18(13)21/h3-5,8-11,22H,6-7H2,1-2H3,(H,24,31)(H,25,26,27)
InChIKeyKNKSYWDFDISRIU-UHFFFAOYSA-N
XLogP2.34
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449211) is N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc(-c3cn(C)nc3F)n2)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KNKSYWDFDISRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN9O/c1-22-17-8-16(27-19-12(9-23-30(17)19)20(31)24-11-6-7-11)26-15-5-3-4-14(25-15)13-10-29(2)28-18(13)21/h3-5,8-11,22H,6-7H2,1-2H3,(H,24,31)(H,25,26,27).
What are the key properties of N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).