(3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol

C18H27N5O — CID 70735989

IUPAC(3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
SMILESCC(C)c1cc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)n2nccc2n1
InChIInChI=1S/C18H27N5O/c1-13(2)14-10-18(23-17(20-14)6-7-19-23)22-11-15(16(24)12-22)21-8-4-3-5-9-21/h6-7,10,13,15-16,24H,3-5,8-9,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyAONIXHLZTJZKGT-HOTGVXAUSA-N
MW329.45 g/mol
LogP1.89
Rot. Bonds3

About (3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol

(3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol (PubChem CID 70735989) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
PubChem CID70735989
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
SMILESCC(C)c1cc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)n2nccc2n1
InChIInChI=1S/C18H27N5O/c1-13(2)14-10-18(23-17(20-14)6-7-19-23)22-11-15(16(24)12-22)21-8-4-3-5-9-21/h6-7,10,13,15-16,24H,3-5,8-9,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyAONIXHLZTJZKGT-HOTGVXAUSA-N
XLogP1.89
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol (CID 70735989) is (3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol is CC(C)c1cc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)n2nccc2n1.
What is the InChIKey of (3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
The InChIKey is AONIXHLZTJZKGT-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13(2)14-10-18(23-17(20-14)6-7-19-23)22-11-15(16(24)12-22)21-8-4-3-5-9-21/h6-7,10,13,15-16,24H,3-5,8-9,11-12H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol?
(3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol has a molecular weight of 329.45 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-piperidin-1-yl-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol is sourced from PubChem (CID 70735989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).