4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide

C24H38N6O4 — CID 95052827

IUPAC4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide
SMILESC[C@H](CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2C)C1)N1CCCC1
InChIInChI=1S/C24H38N6O4/c1-18(28-10-3-4-11-28)7-9-25-21(31)5-6-22(32)30-12-8-20-19(17-30)23(26-27(20)2)24(33)29-13-15-34-16-14-29/h18H,3-17H2,1-2H3,(H,25,31)/t18-/m1/s1
InChIKeyANYKPACUPHVUTC-GOSISDBHSA-N
MW474.61 g/mol
LogP0.55
Rot. Bonds8

About 4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide

4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide (PubChem CID 95052827) has the molecular formula C24H38N6O4 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide.

Molecular Properties

Compound Name4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide
PubChem CID95052827
Molecular FormulaC24H38N6O4
Molecular Weight474.61 g/mol
Exact Mass474.30
IUPAC Name4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide
SMILESC[C@H](CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2C)C1)N1CCCC1
InChIInChI=1S/C24H38N6O4/c1-18(28-10-3-4-11-28)7-9-25-21(31)5-6-22(32)30-12-8-20-19(17-30)23(26-27(20)2)24(33)29-13-15-34-16-14-29/h18H,3-17H2,1-2H3,(H,25,31)/t18-/m1/s1
InChIKeyANYKPACUPHVUTC-GOSISDBHSA-N
XLogP0.55
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide?
The IUPAC name of 4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide (CID 95052827) is 4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide.
What is the SMILES notation for 4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide?
The canonical SMILES for 4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide is C[C@H](CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2C)C1)N1CCCC1.
What is the InChIKey of 4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide?
The InChIKey is ANYKPACUPHVUTC-GOSISDBHSA-N. The full InChI is InChI=1S/C24H38N6O4/c1-18(28-10-3-4-11-28)7-9-25-21(31)5-6-22(32)30-12-8-20-19(17-30)23(26-27(20)2)24(33)29-13-15-34-16-14-29/h18H,3-17H2,1-2H3,(H,25,31)/t18-/m1/s1.
What are the key properties of 4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide?
4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide has a molecular weight of 474.61 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide is sourced from PubChem (CID 95052827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).