[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone

C29H33N5O3 — CID 131996098

IUPAC[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3C[C@@H](C)[C@@H](O)C3)c(C)cn2n1
InChIInChI=1S/C29H33N5O3/c1-18-15-32(17-25(18)35)28-19(2)16-34-27(30-28)14-23(31-34)24-10-6-7-11-33(24)29(36)22-12-20-8-4-5-9-21(20)13-26(22)37-3/h4-5,8-9,12-14,16,18,24-25,35H,6-7,10-11,15,17H2,1-3H3/t18-,24+,25+/m1/s1
InChIKeyFYVNYKLKPZDIJW-YWWLGCSWSA-N
MW499.62 g/mol
LogP4.38
Rot. Bonds4

About [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone

[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone (PubChem CID 131996098) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
PubChem CID131996098
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3C[C@@H](C)[C@@H](O)C3)c(C)cn2n1
InChIInChI=1S/C29H33N5O3/c1-18-15-32(17-25(18)35)28-19(2)16-34-27(30-28)14-23(31-34)24-10-6-7-11-33(24)29(36)22-12-20-8-4-5-9-21(20)13-26(22)37-3/h4-5,8-9,12-14,16,18,24-25,35H,6-7,10-11,15,17H2,1-3H3/t18-,24+,25+/m1/s1
InChIKeyFYVNYKLKPZDIJW-YWWLGCSWSA-N
XLogP4.38
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone (CID 131996098) is [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone is COc1cc2ccccc2cc1C(=O)N1CCCC[C@H]1c1cc2nc(N3C[C@@H](C)[C@@H](O)C3)c(C)cn2n1.
What is the InChIKey of [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The InChIKey is FYVNYKLKPZDIJW-YWWLGCSWSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-18-15-32(17-25(18)35)28-19(2)16-34-27(30-28)14-23(31-34)24-10-6-7-11-33(24)29(36)22-12-20-8-4-5-9-21(20)13-26(22)37-3/h4-5,8-9,12-14,16,18,24-25,35H,6-7,10-11,15,17H2,1-3H3/t18-,24+,25+/m1/s1.
What are the key properties of [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
[(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone has a molecular weight of 499.62 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 131996098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).