(4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C24H29N5O2 — CID 118401293

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc3c(c2)CCN(C)CC3)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H29N5O2/c1-15(19-11-23(30)25-13-19)31-24-20-14-29(3)27-22(20)12-21(26-24)18-5-4-16-6-8-28(2)9-7-17(16)10-18/h4-5,10,12,14-15,19H,6-9,11,13H2,1-3H3,(H,25,30)/t15-,19-/m1/s1
InChIKeyGQKPSGAHOMTIRI-DNVCBOLYSA-N
MW419.53 g/mol
LogP2.57
Rot. Bonds4

About (4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401293) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401293
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc3c(c2)CCN(C)CC3)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H29N5O2/c1-15(19-11-23(30)25-13-19)31-24-20-14-29(3)27-22(20)12-21(26-24)18-5-4-16-6-8-28(2)9-7-17(16)10-18/h4-5,10,12,14-15,19H,6-9,11,13H2,1-3H3,(H,25,30)/t15-,19-/m1/s1
InChIKeyGQKPSGAHOMTIRI-DNVCBOLYSA-N
XLogP2.57
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401293) is (4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccc3c(c2)CCN(C)CC3)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is GQKPSGAHOMTIRI-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-15(19-11-23(30)25-13-19)31-24-20-14-29(3)27-22(20)12-21(26-24)18-5-4-16-6-8-28(2)9-7-17(16)10-18/h4-5,10,12,14-15,19H,6-9,11,13H2,1-3H3,(H,25,30)/t15-,19-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 419.53 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2-methyl-6-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).