N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H34N8O5 — CID 171664836

IUPACN-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)CN1C(O)=C(C(=O)NC2CC2)C(=O)N2NC(Nc3cnc(C(=O)N4CCOCC4)cn3)CC12
InChIInChI=1S/C24H34N8O5/c1-24(2,3)13-31-18-10-16(29-32(18)23(36)19(22(31)35)20(33)27-14-4-5-14)28-17-12-25-15(11-26-17)21(34)30-6-8-37-9-7-30/h11-12,14,16,18,29,35H,4-10,13H2,1-3H3,(H,26,28)(H,27,33)
InChIKeyXSQVTJJDXYKHCT-UHFFFAOYSA-N
MW514.59 g/mol
LogP0.16
Rot. Bonds6

About N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 171664836) has the molecular formula C24H34N8O5 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID171664836
Molecular FormulaC24H34N8O5
Molecular Weight514.59 g/mol
Exact Mass514.27
IUPAC NameN-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)CN1C(O)=C(C(=O)NC2CC2)C(=O)N2NC(Nc3cnc(C(=O)N4CCOCC4)cn3)CC12
InChIInChI=1S/C24H34N8O5/c1-24(2,3)13-31-18-10-16(29-32(18)23(36)19(22(31)35)20(33)27-14-4-5-14)28-17-12-25-15(11-26-17)21(34)30-6-8-37-9-7-30/h11-12,14,16,18,29,35H,4-10,13H2,1-3H3,(H,26,28)(H,27,33)
InChIKeyXSQVTJJDXYKHCT-UHFFFAOYSA-N
XLogP0.16
TPSA152.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one
CID 95713753
(4-ethylpiperazin-1-yl)-[5-(2-morpholin-4-ylethylamino)pyrazin-2-yl]methanone
CID 109277598
[5-(cyclopentylamino)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109274083
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278127
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493284
(2R,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493286
[5-[2-(cyclohexen-1-yl)ethylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109275511
[5-(butylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109272535
[5-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276428

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 171664836) is N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)(C)CN1C(O)=C(C(=O)NC2CC2)C(=O)N2NC(Nc3cnc(C(=O)N4CCOCC4)cn3)CC12.
What is the InChIKey of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XSQVTJJDXYKHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O5/c1-24(2,3)13-31-18-10-16(29-32(18)23(36)19(22(31)35)20(33)27-14-4-5-14)28-17-12-25-15(11-26-17)21(34)30-6-8-37-9-7-30/h11-12,14,16,18,29,35H,4-10,13H2,1-3H3,(H,26,28)(H,27,33).
What are the key properties of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 514.59 g/mol, XLogP of 0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]-7-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 171664836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).