N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C24H27ClN6O4 — CID 169106047

IUPACN-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(=O)NCCOc1cccc(-n2ncc3c2COC[C@@H]3NC(=O)c2ncn3c2CCCC3)c1Cl
InChIInChI=1S/C24H27ClN6O4/c1-15(32)26-8-10-35-21-7-4-6-18(22(21)25)31-20-13-34-12-17(16(20)11-28-31)29-24(33)23-19-5-2-3-9-30(19)14-27-23/h4,6-7,11,14,17H,2-3,5,8-10,12-13H2,1H3,(H,26,32)(H,29,33)/t17-/m0/s1
InChIKeyUYGOAACDKGGKFP-KRWDZBQOSA-N
MW498.97 g/mol
LogP2.57
Rot. Bonds7

About N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 169106047) has the molecular formula C24H27ClN6O4 and a molecular weight of 498.97 g/mol. Its IUPAC name is N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID169106047
Molecular FormulaC24H27ClN6O4
Molecular Weight498.97 g/mol
Exact Mass498.18
IUPAC NameN-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(=O)NCCOc1cccc(-n2ncc3c2COC[C@@H]3NC(=O)c2ncn3c2CCCC3)c1Cl
InChIInChI=1S/C24H27ClN6O4/c1-15(32)26-8-10-35-21-7-4-6-18(22(21)25)31-20-13-34-12-17(16(20)11-28-31)29-24(33)23-19-5-2-3-9-30(19)14-27-23/h4,6-7,11,14,17H,2-3,5,8-10,12-13H2,1H3,(H,26,32)(H,29,33)/t17-/m0/s1
InChIKeyUYGOAACDKGGKFP-KRWDZBQOSA-N
XLogP2.57
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 169106047) is N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CC(=O)NCCOc1cccc(-n2ncc3c2COC[C@@H]3NC(=O)c2ncn3c2CCCC3)c1Cl.
What is the InChIKey of N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is UYGOAACDKGGKFP-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27ClN6O4/c1-15(32)26-8-10-35-21-7-4-6-18(22(21)25)31-20-13-34-12-17(16(20)11-28-31)29-24(33)23-19-5-2-3-9-30(19)14-27-23/h4,6-7,11,14,17H,2-3,5,8-10,12-13H2,1H3,(H,26,32)(H,29,33)/t17-/m0/s1.
What are the key properties of N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 498.97 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-[3-(2-acetamidoethoxy)-2-chlorophenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 169106047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).