1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone

C16H26N8O2 — CID 166897992

IUPAC1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nc(C)nc3c(NCC(O)CN)n[nH]c23)CC1
InChIInChI=1S/C16H26N8O2/c1-9-19-13-14(22-23-15(13)18-8-12(26)7-17)16(20-9)21-11-3-5-24(6-4-11)10(2)25/h11-12,26H,3-8,17H2,1-2H3,(H2,18,22,23)(H,19,20,21)
InChIKeyHGPCFEPSKXPPDR-UHFFFAOYSA-N
MW362.44 g/mol
LogP-0.18
Rot. Bonds6

About 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone

1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone (PubChem CID 166897992) has the molecular formula C16H26N8O2 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
PubChem CID166897992
Molecular FormulaC16H26N8O2
Molecular Weight362.44 g/mol
Exact Mass362.22
IUPAC Name1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nc(C)nc3c(NCC(O)CN)n[nH]c23)CC1
InChIInChI=1S/C16H26N8O2/c1-9-19-13-14(22-23-15(13)18-8-12(26)7-17)16(20-9)21-11-3-5-24(6-4-11)10(2)25/h11-12,26H,3-8,17H2,1-2H3,(H2,18,22,23)(H,19,20,21)
InChIKeyHGPCFEPSKXPPDR-UHFFFAOYSA-N
XLogP-0.18
TPSA145.08 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[[3-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-5-(trifluoromethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
CID 162518328
1-[4-[[3-[[(2R)-3-amino-2-hydroxypropyl]amino]-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
CID 166898238
1-[4-[(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]piperidin-1-yl]ethanone
CID 95813797
1-[4-[[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-fluoro-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone
CID 166898010
3,5-dimethyl-N-(1-prop-1-en-2-ylpiperidin-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 166898293
1-[4-[[3-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridin-7-yl]amino]piperidin-1-yl]ethanone
CID 166898007
1-[4-[[3-[[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone
CID 162518256
1-[4-[[(2S)-2-hydroxy-3-methoxypropyl]amino]-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 95144045
1-[4-(cyclopropylamino)-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-2-hydroxy-2-methylpropan-1-one
CID 97404658
acetyl 4-[[3-[[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-1H-indazol-7-yl]amino]piperidine-1-carboxylate
CID 175390203
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
N-(1-acetylpiperidin-4-yl)-3-amino-2-methylpropanamide
CID 62671383

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone (CID 166897992) is 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2nc(C)nc3c(NCC(O)CN)n[nH]c23)CC1.
What is the InChIKey of 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is HGPCFEPSKXPPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8O2/c1-9-19-13-14(22-23-15(13)18-8-12(26)7-17)16(20-9)21-11-3-5-24(6-4-11)10(2)25/h11-12,26H,3-8,17H2,1-2H3,(H2,18,22,23)(H,19,20,21).
What are the key properties of 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 362.44 g/mol, XLogP of -0.18, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[(3-amino-2-hydroxypropyl)amino]-5-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 166897992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).