(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol

C22H24N8O — CID 139469178

IUPAC(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol
SMILESCc1ccncc1-c1cc2cc(Nc3cnn([C@@H]4CCN(C)C4O)c3)ncc2c(N)n1
InChIInChI=1S/C22H24N8O/c1-13-3-5-24-10-16(13)18-7-14-8-20(25-11-17(14)21(23)28-18)27-15-9-26-30(12-15)19-4-6-29(2)22(19)31/h3,5,7-12,19,22,31H,4,6H2,1-2H3,(H2,23,28)(H,25,27)/t19-,22?/m1/s1
InChIKeyJSBLCTVIZOPVPA-LCQOSCCDSA-N
MW416.49 g/mol
LogP2.72
Rot. Bonds4

About (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol

(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol (PubChem CID 139469178) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol.

Molecular Properties

Compound Name(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol
PubChem CID139469178
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol
SMILESCc1ccncc1-c1cc2cc(Nc3cnn([C@@H]4CCN(C)C4O)c3)ncc2c(N)n1
InChIInChI=1S/C22H24N8O/c1-13-3-5-24-10-16(13)18-7-14-8-20(25-11-17(14)21(23)28-18)27-15-9-26-30(12-15)19-4-6-29(2)22(19)31/h3,5,7-12,19,22,31H,4,6H2,1-2H3,(H2,23,28)(H,25,27)/t19-,22?/m1/s1
InChIKeyJSBLCTVIZOPVPA-LCQOSCCDSA-N
XLogP2.72
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol with MolForge

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Related Compounds

(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one
CID 135344778
2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
CID 135344550
3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 135345232
3-(4-ethyl-3-pyridinyl)-6-N-(1-methylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 135344997
cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
CID 142447521
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 139469052
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
CID 135344703
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
CID 135349081
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide
CID 155477816

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol?
The IUPAC name of (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol (CID 139469178) is (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol.
What is the SMILES notation for (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol?
The canonical SMILES for (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol is Cc1ccncc1-c1cc2cc(Nc3cnn([C@@H]4CCN(C)C4O)c3)ncc2c(N)n1.
What is the InChIKey of (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol?
The InChIKey is JSBLCTVIZOPVPA-LCQOSCCDSA-N. The full InChI is InChI=1S/C22H24N8O/c1-13-3-5-24-10-16(13)18-7-14-8-20(25-11-17(14)21(23)28-18)27-15-9-26-30(12-15)19-4-6-29(2)22(19)31/h3,5,7-12,19,22,31H,4,6H2,1-2H3,(H2,23,28)(H,25,27)/t19-,22?/m1/s1.
What are the key properties of (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol?
(3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol has a molecular weight of 416.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-ol is sourced from PubChem (CID 139469178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).