N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C19H20N4O2 — CID 16623060

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCOc3ccccc32)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H20N4O2/c1-11-10-14(17-12(2)22-23(3)18(17)20-11)19(24)21-15-8-9-25-16-7-5-4-6-13(15)16/h4-7,10,15H,8-9H2,1-3H3,(H,21,24)
InChIKeyLWKWTUMHQXCTME-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.84
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 16623060) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID16623060
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCOc3ccccc32)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H20N4O2/c1-11-10-14(17-12(2)22-23(3)18(17)20-11)19(24)21-15-8-9-25-16-7-5-4-6-13(15)16/h4-7,10,15H,8-9H2,1-3H3,(H,21,24)
InChIKeyLWKWTUMHQXCTME-UHFFFAOYSA-N
XLogP2.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18142811
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 146123645
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111658866
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31339166
6-cyclopropyl-1,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148429
N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880356
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 94165404
cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675632
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51537772
3,6-dimethyl-1-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823024
N-[4-(cyclopropylcarbamoylamino)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55531978
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95331642

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 16623060) is N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC2CCOc3ccccc32)c2c(C)nn(C)c2n1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is LWKWTUMHQXCTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11-10-14(17-12(2)22-23(3)18(17)20-11)19(24)21-15-8-9-25-16-7-5-4-6-13(15)16/h4-7,10,15H,8-9H2,1-3H3,(H,21,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16623060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).