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

C24H26N8O3 — CID 137449677

IUPACN-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cccc(C(C)(C)O)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C24H26N8O3/c1-24(2,35)17-7-4-8-19(29-17)31-11-5-6-16(23(31)34)28-18-12-20(25-3)32-21(30-18)15(13-26-32)22(33)27-14-9-10-14/h4-8,11-14,25,35H,9-10H2,1-3H3,(H,27,33)(H,28,30)
InChIKeyPASOSXRGCMTNLS-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.18
Rot. Bonds7

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

N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449677) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449677
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC NameN-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(-c3cccc(C(C)(C)O)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C24H26N8O3/c1-24(2,35)17-7-4-8-19(29-17)31-11-5-6-16(23(31)34)28-18-12-20(25-3)32-21(30-18)15(13-26-32)22(33)27-14-9-10-14/h4-8,11-14,25,35H,9-10H2,1-3H3,(H,27,33)(H,28,30)
InChIKeyPASOSXRGCMTNLS-UHFFFAOYSA-N
XLogP2.18
TPSA138.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449677) is N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cccc(C(C)(C)O)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PASOSXRGCMTNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-24(2,35)17-7-4-8-19(29-17)31-11-5-6-16(23(31)34)28-18-12-20(25-3)32-21(30-18)15(13-26-32)22(33)27-14-9-10-14/h4-8,11-14,25,35H,9-10H2,1-3H3,(H,27,33)(H,28,30).
What are the key properties of N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 2.18, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).