1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine

C19H22N4O — CID 166195821

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine
SMILESCc1nn(C)c2ncc(CNCC3COc4ccccc4C3)cc12
InChIInChI=1S/C19H22N4O/c1-13-17-8-14(11-21-19(17)23(2)22-13)9-20-10-15-7-16-5-3-4-6-18(16)24-12-15/h3-6,8,11,15,20H,7,9-10,12H2,1-2H3
InChIKeyJAZVSFAXVCFCEX-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.62
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine

1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine (PubChem CID 166195821) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine
PubChem CID166195821
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine
SMILESCc1nn(C)c2ncc(CNCC3COc4ccccc4C3)cc12
InChIInChI=1S/C19H22N4O/c1-13-17-8-14(11-21-19(17)23(2)22-13)9-20-10-15-7-16-5-3-4-6-18(16)24-12-15/h3-6,8,11,15,20H,7,9-10,12H2,1-2H3
InChIKeyJAZVSFAXVCFCEX-UHFFFAOYSA-N
XLogP2.62
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 60975729
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129475985
1-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 63772239
2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
CID 115614760
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63032802
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 97120851
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921293
cis-(1S,2R)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine
CID 124542776
cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine
CID 124542772
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83009426
[1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358637

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine (CID 166195821) is 1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine is Cc1nn(C)c2ncc(CNCC3COc4ccccc4C3)cc12.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine?
The InChIKey is JAZVSFAXVCFCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-17-8-14(11-21-19(17)23(2)22-13)9-20-10-15-7-16-5-3-4-6-18(16)24-12-15/h3-6,8,11,15,20H,7,9-10,12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine?
1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine has a molecular weight of 322.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]methanamine is sourced from PubChem (CID 166195821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).