4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine

C24H30N6 — CID 92574725

IUPAC4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1ccc(CCN2CCC[C@H](c3[nH]ncc3-c3ccnc(N4CCCC4)n3)C2)cc1
InChIInChI=1S/C24H30N6/c1-2-7-19(8-3-1)11-16-29-13-6-9-20(18-29)23-21(17-26-28-23)22-10-12-25-24(27-22)30-14-4-5-15-30/h1-3,7-8,10,12,17,20H,4-6,9,11,13-16,18H2,(H,26,28)/t20-/m0/s1
InChIKeyPTVZJRWWIAZWCX-FQEVSTJZSA-N
MW402.55 g/mol
LogP3.89
Rot. Bonds6

About 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine

4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 92574725) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID92574725
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC Name4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1ccc(CCN2CCC[C@H](c3[nH]ncc3-c3ccnc(N4CCCC4)n3)C2)cc1
InChIInChI=1S/C24H30N6/c1-2-7-19(8-3-1)11-16-29-13-6-9-20(18-29)23-21(17-26-28-23)22-10-12-25-24(27-22)30-14-4-5-15-30/h1-3,7-8,10,12,17,20H,4-6,9,11,13-16,18H2,(H,26,28)/t20-/m0/s1
InChIKeyPTVZJRWWIAZWCX-FQEVSTJZSA-N
XLogP3.89
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine with MolForge

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Related Compounds

4-[5-[(3S)-1-[(2R)-2-phenylpropyl]piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 93240387
4-[5-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 92572816
3-phenyl-1-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 110236140
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
2-(4-methylphenyl)-1-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110224791
4-[5-[(3R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 92556274
1-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110224806
1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 118741386
3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylmethoxyethyl)piperidine
CID 110089792
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474474

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine (CID 92574725) is 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine is c1ccc(CCN2CCC[C@H](c3[nH]ncc3-c3ccnc(N4CCCC4)n3)C2)cc1.
What is the InChIKey of 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is PTVZJRWWIAZWCX-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N6/c1-2-7-19(8-3-1)11-16-29-13-6-9-20(18-29)23-21(17-26-28-23)22-10-12-25-24(27-22)30-14-4-5-15-30/h1-3,7-8,10,12,17,20H,4-6,9,11,13-16,18H2,(H,26,28)/t20-/m0/s1.
What are the key properties of 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine?
4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 402.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 92574725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).