[(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol

C18H29N5O — CID 95866553

IUPAC[(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESCc1cc2nc(C(C)C)cc(NCCN3CCC[C@@H](CO)C3)n2n1
InChIInChI=1S/C18H29N5O/c1-13(2)16-10-17(23-18(20-16)9-14(3)21-23)19-6-8-22-7-4-5-15(11-22)12-24/h9-10,13,15,19,24H,4-8,11-12H2,1-3H3/t15-/m1/s1
InChIKeyKFWORXNQARNVHJ-OAHLLOKOSA-N
MW331.46 g/mol
LogP2.28
Rot. Bonds6

About [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol

[(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol (PubChem CID 95866553) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
PubChem CID95866553
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name[(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESCc1cc2nc(C(C)C)cc(NCCN3CCC[C@@H](CO)C3)n2n1
InChIInChI=1S/C18H29N5O/c1-13(2)16-10-17(23-18(20-16)9-14(3)21-23)19-6-8-22-7-4-5-15(11-22)12-24/h9-10,13,15,19,24H,4-8,11-12H2,1-3H3/t15-/m1/s1
InChIKeyKFWORXNQARNVHJ-OAHLLOKOSA-N
XLogP2.28
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 56891397
2-methyl-N-[2-(oxan-3-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56886694
[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
CID 56901779
2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-6-propan-2-ylpyridine-3-carbonitrile
CID 131943032
N-(3-methoxypropyl)-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56900581
[(3R)-1-[2-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol
CID 95873826
trans-(1S,2S)-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
CID 56885324
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95874316
2-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95871375
cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 56896555
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56902883
3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
CID 56900272

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol (CID 95866553) is [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol is Cc1cc2nc(C(C)C)cc(NCCN3CCC[C@@H](CO)C3)n2n1.
What is the InChIKey of [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is KFWORXNQARNVHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O/c1-13(2)16-10-17(23-18(20-16)9-14(3)21-23)19-6-8-22-7-4-5-15(11-22)12-24/h9-10,13,15,19,24H,4-8,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol?
[(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 331.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95866553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).