N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

C19H24N4O3 — CID 95119735

IUPACN-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc2c(c1)[C@H](NC(=O)c1cc3n(n1)CCNC3)CC(C)(C)O2
InChIInChI=1S/C19H24N4O3/c1-19(2)10-16(14-9-13(25-3)4-5-17(14)26-19)21-18(24)15-8-12-11-20-6-7-23(12)22-15/h4-5,8-9,16,20H,6-7,10-11H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyKDTKDHAOPYXFKA-MRXNPFEDSA-N
MW356.43 g/mol
LogP2.03
Rot. Bonds3

About N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 95119735) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID95119735
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc2c(c1)[C@H](NC(=O)c1cc3n(n1)CCNC3)CC(C)(C)O2
InChIInChI=1S/C19H24N4O3/c1-19(2)10-16(14-9-13(25-3)4-5-17(14)26-19)21-18(24)15-8-12-11-20-6-7-23(12)22-15/h4-5,8-9,16,20H,6-7,10-11H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyKDTKDHAOPYXFKA-MRXNPFEDSA-N
XLogP2.03
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125179947
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 77097764
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
5-ethyl-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125167898
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-dihydro-2-benzofuran-4-carboxamide
CID 157017063
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylsulfanylbenzamide
CID 132653943
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 100622453
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 95119735) is N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc2c(c1)[C@H](NC(=O)c1cc3n(n1)CCNC3)CC(C)(C)O2.
What is the InChIKey of N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is KDTKDHAOPYXFKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2)10-16(14-9-13(25-3)4-5-17(14)26-19)21-18(24)15-8-12-11-20-6-7-23(12)22-15/h4-5,8-9,16,20H,6-7,10-11H2,1-3H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95119735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).