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

C22H25N9O2 — CID 137449394

IUPACN-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3nn(C)c(C)c3C)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C22H25N9O2/c1-12-13(2)29(4)28-19(12)30-9-5-6-16(22(30)33)26-17-10-18(23-3)31-20(27-17)15(11-24-31)21(32)25-14-7-8-14/h5-6,9-11,14,23H,7-8H2,1-4H3,(H,25,32)(H,26,27)
InChIKeyJIUXTJQFXISQQD-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.91
Rot. Bonds6

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

N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449394) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449394
Molecular FormulaC22H25N9O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3nn(C)c(C)c3C)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C22H25N9O2/c1-12-13(2)29(4)28-19(12)30-9-5-6-16(22(30)33)26-17-10-18(23-3)31-20(27-17)15(11-24-31)21(32)25-14-7-8-14/h5-6,9-11,14,23H,7-8H2,1-4H3,(H,25,32)(H,26,27)
InChIKeyJIUXTJQFXISQQD-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449394) is N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3nn(C)c(C)c3C)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JIUXTJQFXISQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-12-13(2)29(4)28-19(12)30-9-5-6-16(22(30)33)26-17-10-18(23-3)31-20(27-17)15(11-24-31)21(32)25-14-7-8-14/h5-6,9-11,14,23H,7-8H2,1-4H3,(H,25,32)(H,26,27).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[[2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).