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

C21H22ClN5O2 — CID 172557833

IUPACN-[(4R)-1-(2-chloro-5-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1ccc(Cl)c(-n2ncc3c2COC[C@@H]3NC(=O)c2ncn3c2CCCC3)c1
InChIInChI=1S/C21H22ClN5O2/c1-13-5-6-15(22)18(8-13)27-19-11-29-10-16(14(19)9-24-27)25-21(28)20-17-4-2-3-7-26(17)12-23-20/h5-6,8-9,12,16H,2-4,7,10-11H2,1H3,(H,25,28)/t16-/m0/s1
InChIKeyLXOYEDCXIGKKPB-INIZCTEOSA-N
MW411.89 g/mol
LogP3.37
Rot. Bonds3

About N-[(4R)-1-(2-chloro-5-methylphenyl)-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-(2-chloro-5-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 172557833) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[(4R)-1-(2-chloro-5-methylphenyl)-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-(2-chloro-5-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID172557833
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC NameN-[(4R)-1-(2-chloro-5-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1ccc(Cl)c(-n2ncc3c2COC[C@@H]3NC(=O)c2ncn3c2CCCC3)c1
InChIInChI=1S/C21H22ClN5O2/c1-13-5-6-15(22)18(8-13)27-19-11-29-10-16(14(19)9-24-27)25-21(28)20-17-4-2-3-7-26(17)12-23-20/h5-6,8-9,12,16H,2-4,7,10-11H2,1H3,(H,25,28)/t16-/m0/s1
InChIKeyLXOYEDCXIGKKPB-INIZCTEOSA-N
XLogP3.37
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4R)-1-(2-chloro-5-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(2-chloro-5-methylphenyl)-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-(2-chloro-5-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 172557833) is N-[(4R)-1-(2-chloro-5-methylphenyl)-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-(2-chloro-5-methylphenyl)-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-(2-chloro-5-methylphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is Cc1ccc(Cl)c(-n2ncc3c2COC[C@@H]3NC(=O)c2ncn3c2CCCC3)c1.
What is the InChIKey of N-[(4R)-1-(2-chloro-5-methylphenyl)-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 LXOYEDCXIGKKPB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-13-5-6-15(22)18(8-13)27-19-11-29-10-16(14(19)9-24-27)25-21(28)20-17-4-2-3-7-26(17)12-23-20/h5-6,8-9,12,16H,2-4,7,10-11H2,1H3,(H,25,28)/t16-/m0/s1.
What are the key properties of N-[(4R)-1-(2-chloro-5-methylphenyl)-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-(2-chloro-5-methylphenyl)-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 411.89 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(2-chloro-5-methylphenyl)-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 172557833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).