2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline

C24H28N8 — CID 133281049

IUPAC2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline
SMILESCn1cc(C2CCCN2c2nc(N3CCCC3c3cnn(C)c3)c3ccccc3n2)cn1
InChIInChI=1S/C24H28N8/c1-29-15-17(13-25-29)21-9-5-11-31(21)23-19-7-3-4-8-20(19)27-24(28-23)32-12-6-10-22(32)18-14-26-30(2)16-18/h3-4,7-8,13-16,21-22H,5-6,9-12H2,1-2H3
InChIKeyIWAIJOLTPDVLFZ-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.78
Rot. Bonds4

About 2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline

2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline (PubChem CID 133281049) has the molecular formula C24H28N8 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline
PubChem CID133281049
Molecular FormulaC24H28N8
Molecular Weight428.54 g/mol
Exact Mass428.24
IUPAC Name2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline
SMILESCn1cc(C2CCCN2c2nc(N3CCCC3c3cnn(C)c3)c3ccccc3n2)cn1
InChIInChI=1S/C24H28N8/c1-29-15-17(13-25-29)21-9-5-11-31(21)23-19-7-3-4-8-20(19)27-24(28-23)32-12-6-10-22(32)18-14-26-30(2)16-18/h3-4,7-8,13-16,21-22H,5-6,9-12H2,1-2H3
InChIKeyIWAIJOLTPDVLFZ-UHFFFAOYSA-N
XLogP3.78
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline
CID 95342310
2,3-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrido[2,3-b]pyrazine
CID 133378933
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95569651
1,6-dimethyl-4-(2-phenylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816112
1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94521504
2-(difluoromethyl)-4-[2-(4-methylphenyl)pyrrolidin-1-yl]quinazoline
CID 56575058
5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine
CID 100759611
5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 138041096
3,5-difluoro-4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]benzonitrile
CID 133281061
4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 95322878
4-methyl-2-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-1,3-benzothiazole
CID 139027423
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949331

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline?
The IUPAC name of 2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline (CID 133281049) is 2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline?
The canonical SMILES for 2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline is Cn1cc(C2CCCN2c2nc(N3CCCC3c3cnn(C)c3)c3ccccc3n2)cn1.
What is the InChIKey of 2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline?
The InChIKey is IWAIJOLTPDVLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8/c1-29-15-17(13-25-29)21-9-5-11-31(21)23-19-7-3-4-8-20(19)27-24(28-23)32-12-6-10-22(32)18-14-26-30(2)16-18/h3-4,7-8,13-16,21-22H,5-6,9-12H2,1-2H3.
What are the key properties of 2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline?
2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline has a molecular weight of 428.54 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 133281049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).