(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol

C22H29N5O — CID 95871774

IUPAC(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
SMILESCc1ccc2nc(N3CCC[C@@H](O)C3)c(CN(C)Cc3cc(C)[nH]n3)cc2c1
InChIInChI=1S/C22H29N5O/c1-15-6-7-21-17(9-15)11-18(12-26(3)13-19-10-16(2)24-25-19)22(23-21)27-8-4-5-20(28)14-27/h6-7,9-11,20,28H,4-5,8,12-14H2,1-3H3,(H,24,25)/t20-/m1/s1
InChIKeyHFSWNBBCAZVBQQ-HXUWFJFHSA-N
MW379.51 g/mol
LogP3.17
Rot. Bonds5

About (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol

(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol (PubChem CID 95871774) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
PubChem CID95871774
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
SMILESCc1ccc2nc(N3CCC[C@@H](O)C3)c(CN(C)Cc3cc(C)[nH]n3)cc2c1
InChIInChI=1S/C22H29N5O/c1-15-6-7-21-17(9-15)11-18(12-26(3)13-19-10-16(2)24-25-19)22(23-21)27-8-4-5-20(28)14-27/h6-7,9-11,20,28H,4-5,8,12-14H2,1-3H3,(H,24,25)/t20-/m1/s1
InChIKeyHFSWNBBCAZVBQQ-HXUWFJFHSA-N
XLogP3.17
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol 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

(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 95861414
1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 70718622
(3S)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 95861413
(3R)-1-[6-methyl-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]quinolin-2-yl]piperidin-3-ol
CID 95874018
(3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol
CID 99962325
1-[6-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinolin-2-yl]piperidin-3-ol
CID 70785584
N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 45240414
1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
CID 61434840
(3S)-1-[2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95121742
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
N-[[2-(3-hydroxypiperidin-1-yl)-7-methylquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]furan-2-carboxamide
CID 118756720
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol (CID 95871774) is (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol is Cc1ccc2nc(N3CCC[C@@H](O)C3)c(CN(C)Cc3cc(C)[nH]n3)cc2c1.
What is the InChIKey of (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?
The InChIKey is HFSWNBBCAZVBQQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N5O/c1-15-6-7-21-17(9-15)11-18(12-26(3)13-19-10-16(2)24-25-19)22(23-21)27-8-4-5-20(28)14-27/h6-7,9-11,20,28H,4-5,8,12-14H2,1-3H3,(H,24,25)/t20-/m1/s1.
What are the key properties of (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol?
(3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol has a molecular weight of 379.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-methyl-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]quinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 95871774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).