[(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

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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).