[2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone

C25H30N6O2 — CID 92638714

IUPAC[2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CC[C@@H](c3cc(C(=O)N4CCN(C)CC4)c4ccccc4n3)C2)cnn1C
InChIInChI=1S/C25H30N6O2/c1-17-21(15-26-29(17)3)25(33)31-9-8-18(16-31)23-14-20(19-6-4-5-7-22(19)27-23)24(32)30-12-10-28(2)11-13-30/h4-7,14-15,18H,8-13,16H2,1-3H3/t18-/m1/s1
InChIKeyGBAHJTZFPJTHIZ-GOSISDBHSA-N
MW446.56 g/mol
LogP2.29
Rot. Bonds3

About [2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 92638714) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is [2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID92638714
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name[2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CC[C@@H](c3cc(C(=O)N4CCN(C)CC4)c4ccccc4n3)C2)cnn1C
InChIInChI=1S/C25H30N6O2/c1-17-21(15-26-29(17)3)25(33)31-9-8-18(16-31)23-14-20(19-6-4-5-7-22(19)27-23)24(32)30-12-10-28(2)11-13-30/h4-7,14-15,18H,8-13,16H2,1-3H3/t18-/m1/s1
InChIKeyGBAHJTZFPJTHIZ-GOSISDBHSA-N
XLogP2.29
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-[(3S)-3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 92636312
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 92638584
1-[3-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-propan-2-yloxyethanone
CID 110251561
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
[(2S)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 92638221
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
[(2R)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 92639213
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92616884

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 92638714) is [2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CC[C@@H](c3cc(C(=O)N4CCN(C)CC4)c4ccccc4n3)C2)cnn1C.
What is the InChIKey of [2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GBAHJTZFPJTHIZ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-21(15-26-29(17)3)25(33)31-9-8-18(16-31)23-14-20(19-6-4-5-7-22(19)27-23)24(32)30-12-10-28(2)11-13-30/h4-7,14-15,18H,8-13,16H2,1-3H3/t18-/m1/s1.
What are the key properties of [2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 446.56 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 92638714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).