(4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C24H30N6O2 — CID 118401282

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(N3CCN(C)CC3)cc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H30N6O2/c1-16(18-12-23(31)25-14-18)32-24-20-15-29(3)27-22(20)13-21(26-24)17-4-6-19(7-5-17)30-10-8-28(2)9-11-30/h4-7,13,15-16,18H,8-12,14H2,1-3H3,(H,25,31)/t16-,18-/m1/s1
InChIKeyHXOOKUKQPRGGMK-SJLPKXTDSA-N
MW434.54 g/mol
LogP2.29
Rot. Bonds5

About (4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401282) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401282
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(N3CCN(C)CC3)cc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H30N6O2/c1-16(18-12-23(31)25-14-18)32-24-20-15-29(3)27-22(20)13-21(26-24)17-4-6-19(7-5-17)30-10-8-28(2)9-11-30/h4-7,13,15-16,18H,8-12,14H2,1-3H3,(H,25,31)/t16-,18-/m1/s1
InChIKeyHXOOKUKQPRGGMK-SJLPKXTDSA-N
XLogP2.29
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401282) is (4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccc(N3CCN(C)CC3)cc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is HXOOKUKQPRGGMK-SJLPKXTDSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16(18-12-23(31)25-14-18)32-24-20-15-29(3)27-22(20)13-21(26-24)17-4-6-19(7-5-17)30-10-8-28(2)9-11-30/h4-7,13,15-16,18H,8-12,14H2,1-3H3,(H,25,31)/t16-,18-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 434.54 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).