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

C20H21N9O2 — CID 137449697

IUPACN-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccn(C)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C20H21N9O2/c1-21-17-10-15(25-18-13(11-22-29(17)18)19(30)23-12-5-6-12)24-14-4-3-8-28(20(14)31)16-7-9-27(2)26-16/h3-4,7-12,21H,5-6H2,1-2H3,(H,23,30)(H,24,25)
InChIKeyZNNULPYCJBUNPZ-UHFFFAOYSA-N
MW419.45 g/mol
LogP1.29
Rot. Bonds6

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

N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449697) has the molecular formula C20H21N9O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449697
Molecular FormulaC20H21N9O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3ccn(C)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C20H21N9O2/c1-21-17-10-15(25-18-13(11-22-29(17)18)19(30)23-12-5-6-12)24-14-4-3-8-28(20(14)31)16-7-9-27(2)26-16/h3-4,7-12,21H,5-6H2,1-2H3,(H,23,30)(H,24,25)
InChIKeyZNNULPYCJBUNPZ-UHFFFAOYSA-N
XLogP1.29
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 51.29
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-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449697) is N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccn(C)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZNNULPYCJBUNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O2/c1-21-17-10-15(25-18-13(11-22-29(17)18)19(30)23-12-5-6-12)24-14-4-3-8-28(20(14)31)16-7-9-27(2)26-16/h3-4,7-12,21H,5-6H2,1-2H3,(H,23,30)(H,24,25).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 1.29, 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-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).