(2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

C25H32N6O — CID 86957741

IUPAC(2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nn(C)c(C)c1CN1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)CC1
InChIInChI=1S/C25H32N6O/c1-18-22(19(2)28(3)27-18)17-29-12-14-31(15-13-29)25(32)21-16-20-8-4-5-9-23(20)26-24(21)30-10-6-7-11-30/h4-5,8-9,16H,6-7,10-15,17H2,1-3H3
InChIKeyPEWCMOSRUBJWLW-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.14
Rot. Bonds4

About (2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

(2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 86957741) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is (2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID86957741
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name(2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nn(C)c(C)c1CN1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)CC1
InChIInChI=1S/C25H32N6O/c1-18-22(19(2)28(3)27-18)17-29-12-14-31(15-13-29)25(32)21-16-20-8-4-5-9-23(20)26-24(21)30-10-6-7-11-30/h4-5,8-9,16H,6-7,10-15,17H2,1-3H3
InChIKeyPEWCMOSRUBJWLW-UHFFFAOYSA-N
XLogP3.14
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(4-hydroxyphenyl)-[4-(2-pyrrolidin-1-ylquinoline-3-carbonyl)piperazin-1-yl]methanone
CID 86941241
1H-indol-7-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 126795994
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56515869
1-[2-[4-(2-methylquinoline-3-carbonyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 86880383
2-amino-2-phenyl-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone;trihydrochloride
CID 119903167
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 86957724
2-amino-3-phenyl-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 119903178
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56514362
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
[2-(4-fluorophenyl)morpholin-4-yl]-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56540662
pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119903207
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 51290076

Frequently Asked Questions

What is the IUPAC name of (2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (CID 86957741) is (2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)CC1.
What is the InChIKey of (2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is PEWCMOSRUBJWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-18-22(19(2)28(3)27-18)17-29-12-14-31(15-13-29)25(32)21-16-20-8-4-5-9-23(20)26-24(21)30-10-6-7-11-30/h4-5,8-9,16H,6-7,10-15,17H2,1-3H3.
What are the key properties of (2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
(2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 432.57 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86957741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).