N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C23H24ClN5O3 — CID 151474620

IUPACN-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(CN2CCn3nc(C(=O)N[C@H]4COc5ccc(Cl)cc5C4)cc3C2)n1
InChIInChI=1S/C23H24ClN5O3/c1-31-22-4-2-3-17(25-22)12-28-7-8-29-19(13-28)11-20(27-29)23(30)26-18-10-15-9-16(24)5-6-21(15)32-14-18/h2-6,9,11,18H,7-8,10,12-14H2,1H3,(H,26,30)/t18-/m1/s1
InChIKeyPLELLCUBXJNRPV-GOSISDBHSA-N
MW453.93 g/mol
LogP2.69
Rot. Bonds5

About N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 151474620) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID151474620
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC NameN-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(CN2CCn3nc(C(=O)N[C@H]4COc5ccc(Cl)cc5C4)cc3C2)n1
InChIInChI=1S/C23H24ClN5O3/c1-31-22-4-2-3-17(25-22)12-28-7-8-29-19(13-28)11-20(27-29)23(30)26-18-10-15-9-16(24)5-6-21(15)32-14-18/h2-6,9,11,18H,7-8,10,12-14H2,1H3,(H,26,30)/t18-/m1/s1
InChIKeyPLELLCUBXJNRPV-GOSISDBHSA-N
XLogP2.69
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167414323
5-(2-cyclobutyloxyethyl)-N-[6-(ethoxymethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167414256
(4-chloro-2-fluorophenyl)-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 136525292
N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-5-(2-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 151887078
5-ethyl-N-[(3R)-6-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 152719382
N-cyclopropyl-3-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72927922
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
6-ethyl-6-hydroxy-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxamide
CID 177272907
N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 166652096
N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 167414337
2-(6-methoxy-2-pyridinyl)-1-(3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 136541072
5-benzyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50983965

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 151474620) is N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is COc1cccc(CN2CCn3nc(C(=O)N[C@H]4COc5ccc(Cl)cc5C4)cc3C2)n1.
What is the InChIKey of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is PLELLCUBXJNRPV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-31-22-4-2-3-17(25-22)12-28-7-8-29-19(13-28)11-20(27-29)23(30)26-18-10-15-9-16(24)5-6-21(15)32-14-18/h2-6,9,11,18H,7-8,10,12-14H2,1H3,(H,26,30)/t18-/m1/s1.
What are the key properties of N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-5-[(6-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 151474620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).