8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C18H14Cl2N4O2 — CID 160847331

IUPAC8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2cncc(Cl)c2)c2c1-c1cc(Cl)ccc1OC2
InChIInChI=1S/C18H14Cl2N4O2/c1-24-17-13-5-11(19)2-3-15(13)26-9-14(17)16(23-24)18(25)22-7-10-4-12(20)8-21-6-10/h2-6,8H,7,9H2,1H3,(H,22,25)
InChIKeySIURHGWBBDXCFH-UHFFFAOYSA-N
MW389.24 g/mol
LogP3.61
Rot. Bonds3

About 8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 160847331) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID160847331
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2cncc(Cl)c2)c2c1-c1cc(Cl)ccc1OC2
InChIInChI=1S/C18H14Cl2N4O2/c1-24-17-13-5-11(19)2-3-15(13)26-9-14(17)16(23-24)18(25)22-7-10-4-12(20)8-21-6-10/h2-6,8H,7,9H2,1H3,(H,22,25)
InChIKeySIURHGWBBDXCFH-UHFFFAOYSA-N
XLogP3.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657512
4-[[(8-chloro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)-[(2-fluorophenyl)methyl]amino]methyl]-3-fluorobenzoic acid
CID 118063506
8-chloro-N-[2-[5-(dihydroxymethyl)-2-fluoroanilino]-2-oxoethyl]-N-[(3-fluorophenyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 134293956
ethyl 3-[[2-[(8-chloro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)-[(2-fluorophenyl)methyl]amino]acetyl]amino]-5-fluorobenzoate
CID 118063635
2-[(8-bromo-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)-[(2,5-difluorophenyl)methyl]amino]acetic acid
CID 122663063
3-[[2-[benzyl-(8-fluoro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)amino]acetyl]amino]-4-fluorobenzoic acid
CID 118063879
8-chloro-1-methyl-N-(2-phenylethyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000419
[4-(3-chlorophenyl)piperazin-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone
CID 22516820
N-[(4-chlorophenyl)methyl]-1,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 170928558
8-bromo-N-[(3-fluorophenyl)methyl]-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657499
N-(2-acetamidoethyl)-8-bromo-1-methyl-N-(pyridin-2-ylmethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 155515061
N-[2-(5-acetyl-2-fluoroanilino)-2-oxoethyl]-9-chloro-N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide
CID 118063566

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 160847331) is 8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is Cn1nc(C(=O)NCc2cncc(Cl)c2)c2c1-c1cc(Cl)ccc1OC2.
What is the InChIKey of 8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is SIURHGWBBDXCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-24-17-13-5-11(19)2-3-15(13)26-9-14(17)16(23-24)18(25)22-7-10-4-12(20)8-21-6-10/h2-6,8H,7,9H2,1H3,(H,22,25).
What are the key properties of 8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 389.24 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(5-chloro-3-pyridinyl)methyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 160847331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).