N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H26N6O4 — CID 156890600

IUPACN-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccnc(Nc2cc3n(CC(C)(C)C)c(O)c(C(=O)NC4CC4)c(=O)n3n2)c1
InChIInChI=1S/C21H26N6O4/c1-21(2,3)11-26-16-10-15(24-14-9-13(31-4)7-8-22-14)25-27(16)20(30)17(19(26)29)18(28)23-12-5-6-12/h7-10,12,29H,5-6,11H2,1-4H3,(H,23,28)(H,22,24,25)
InChIKeyGHHAKPWBBNILNK-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.29
Rot. Bonds6

About N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156890600) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID156890600
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC NameN-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccnc(Nc2cc3n(CC(C)(C)C)c(O)c(C(=O)NC4CC4)c(=O)n3n2)c1
InChIInChI=1S/C21H26N6O4/c1-21(2,3)11-26-16-10-15(24-14-9-13(31-4)7-8-22-14)25-27(16)20(30)17(19(26)29)18(28)23-12-5-6-12/h7-10,12,29H,5-6,11H2,1-4H3,(H,23,28)(H,22,24,25)
InChIKeyGHHAKPWBBNILNK-UHFFFAOYSA-N
XLogP2.29
TPSA122.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156890600) is N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccnc(Nc2cc3n(CC(C)(C)C)c(O)c(C(=O)NC4CC4)c(=O)n3n2)c1.
What is the InChIKey of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GHHAKPWBBNILNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-21(2,3)11-26-16-10-15(24-14-9-13(31-4)7-8-22-14)25-27(16)20(30)17(19(26)29)18(28)23-12-5-6-12/h7-10,12,29H,5-6,11H2,1-4H3,(H,23,28)(H,22,24,25).
What are the key properties of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(4-methoxy-2-pyridinyl)amino]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156890600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).