6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C17H18ClN3O2 — CID 127463379

IUPAC6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCc2cn[nH]c2C1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C17H18ClN3O2/c18-13-2-4-16-11(6-13)5-12(9-23-16)17(22)20-14-3-1-10-8-19-21-15(10)7-14/h2,4,6,8,12,14H,1,3,5,7,9H2,(H,19,21)(H,20,22)
InChIKeyNVNCWHYFYSPGGW-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.29
Rot. Bonds2

About 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 127463379) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID127463379
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCc2cn[nH]c2C1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C17H18ClN3O2/c18-13-2-4-16-11(6-13)5-12(9-23-16)17(22)20-14-3-1-10-8-19-21-15(10)7-14/h2,4,6,8,12,14H,1,3,5,7,9H2,(H,19,21)(H,20,22)
InChIKeyNVNCWHYFYSPGGW-UHFFFAOYSA-N
XLogP2.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide
CID 126795271
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 126767232
6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 71893150
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496712
6-chloro-N-(2-methylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120576633
3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoic acid
CID 124704665
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17463112
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 127463379) is 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC1CCc2cn[nH]c2C1)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NVNCWHYFYSPGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-2-4-16-11(6-13)5-12(9-23-16)17(22)20-14-3-1-10-8-19-21-15(10)7-14/h2,4,6,8,12,14H,1,3,5,7,9H2,(H,19,21)(H,20,22).
What are the key properties of 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 127463379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).