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

C22H25N9O2 — CID 137457791

IUPACN-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C22H25N9O2/c1-13-7-17(22(33)30(11-13)15-9-24-29(3)12-15)27-18-8-19(23-2)31-20(28-18)16(10-25-31)21(32)26-14-5-4-6-14/h7-12,14,23H,4-6H2,1-3H3,(H,26,32)(H,27,28)
InChIKeyXSWGVEDQWOAGJK-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.99
Rot. Bonds6

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

N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457791) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137457791
Molecular FormulaC22H25N9O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC NameN-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C22H25N9O2/c1-13-7-17(22(33)30(11-13)15-9-24-29(3)12-15)27-18-8-19(23-2)31-20(28-18)16(10-25-31)21(32)26-14-5-4-6-14/h7-12,14,23H,4-6H2,1-3H3,(H,26,32)(H,27,28)
InChIKeyXSWGVEDQWOAGJK-UHFFFAOYSA-N
XLogP1.99
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457791) is N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(C)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)NC3CCC3)cnn12.
What is the InChIKey of N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XSWGVEDQWOAGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-13-7-17(22(33)30(11-13)15-9-24-29(3)12-15)27-18-8-19(23-2)31-20(28-18)16(10-25-31)21(32)26-14-5-4-6-14/h7-12,14,23H,4-6H2,1-3H3,(H,26,32)(H,27,28).
What are the key properties of N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).