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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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).