6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline

C22H21ClN6 — CID 177177240

IUPAC6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline
SMILESClc1ccc2nc(CN3CCC(c4cc(-c5cccnc5)n[nH]4)CC3)ncc2c1
InChIInChI=1S/C22H21ClN6/c23-18-3-4-19-17(10-18)13-25-22(26-19)14-29-8-5-15(6-9-29)20-11-21(28-27-20)16-2-1-7-24-12-16/h1-4,7,10-13,15H,5-6,8-9,14H2,(H,27,28)
InChIKeyQRLPZXAUIYQPCT-UHFFFAOYSA-N
MW404.91 g/mol
LogP4.45
Rot. Bonds4

About 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline

6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline (PubChem CID 177177240) has the molecular formula C22H21ClN6 and a molecular weight of 404.91 g/mol. Its IUPAC name is 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline.

Molecular Properties

Compound Name6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline
PubChem CID177177240
Molecular FormulaC22H21ClN6
Molecular Weight404.91 g/mol
Exact Mass404.15
IUPAC Name6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline
SMILESClc1ccc2nc(CN3CCC(c4cc(-c5cccnc5)n[nH]4)CC3)ncc2c1
InChIInChI=1S/C22H21ClN6/c23-18-3-4-19-17(10-18)13-25-22(26-19)14-29-8-5-15(6-9-29)20-11-21(28-27-20)16-2-1-7-24-12-16/h1-4,7,10-13,15H,5-6,8-9,14H2,(H,27,28)
InChIKeyQRLPZXAUIYQPCT-UHFFFAOYSA-N
XLogP4.45
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.91
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[3-(4-chloro-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylpyrido[2,3-d]pyrimidine
CID 177177193
4-methyl-2-[[4-[3-(4-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177219
4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177157
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(4-nitrophenyl)methyl]piperidine
CID 1486809
2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177261
4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine
CID 91832881
3-[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 110244523
2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177243
1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
CID 4318406
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136681607
3,3-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-amine
CID 120782235
6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 92563327

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline?
The IUPAC name of 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline (CID 177177240) is 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline.
What is the SMILES notation for 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline?
The canonical SMILES for 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline is Clc1ccc2nc(CN3CCC(c4cc(-c5cccnc5)n[nH]4)CC3)ncc2c1.
What is the InChIKey of 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline?
The InChIKey is QRLPZXAUIYQPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6/c23-18-3-4-19-17(10-18)13-25-22(26-19)14-29-8-5-15(6-9-29)20-11-21(28-27-20)16-2-1-7-24-12-16/h1-4,7,10-13,15H,5-6,8-9,14H2,(H,27,28).
What are the key properties of 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline?
6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline has a molecular weight of 404.91 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(3-pyridin-3-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinazoline is sourced from PubChem (CID 177177240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).