7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one

C19H15ClN6O2 — CID 153329058

IUPAC7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one
SMILESCn1nc(-c2ccc3c(c2)OCCC3=O)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C19H15ClN6O2/c1-26-19(22-14-5-4-13-12(17(14)20)9-21-24-13)23-18(25-26)10-2-3-11-15(27)6-7-28-16(11)8-10/h2-5,8-9H,6-7H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyZDFVPKDADQRSDD-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.72
Rot. Bonds3

About 7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one

7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one (PubChem CID 153329058) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is 7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one
PubChem CID153329058
Molecular FormulaC19H15ClN6O2
Molecular Weight394.82 g/mol
Exact Mass394.09
IUPAC Name7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one
SMILESCn1nc(-c2ccc3c(c2)OCCC3=O)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C19H15ClN6O2/c1-26-19(22-14-5-4-13-12(17(14)20)9-21-24-13)23-18(25-26)10-2-3-11-15(27)6-7-28-16(11)8-10/h2-5,8-9H,6-7H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyZDFVPKDADQRSDD-UHFFFAOYSA-N
XLogP3.72
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one (CID 153329058) is 7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one is Cn1nc(-c2ccc3c(c2)OCCC3=O)nc1Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of 7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one?
The InChIKey is ZDFVPKDADQRSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c1-26-19(22-14-5-4-13-12(17(14)20)9-21-24-13)23-18(25-26)10-2-3-11-15(27)6-7-28-16(11)8-10/h2-5,8-9H,6-7H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one?
7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one has a molecular weight of 394.82 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 153329058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).