(4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide

C19H16ClFN4O3 — CID 177140251

IUPAC(4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
SMILESCn1c(C(=O)N[C@@H]2CCOc3c2cnc(C(N)=O)c3F)cc2ccc(Cl)cc21
InChIInChI=1S/C19H16ClFN4O3/c1-25-13-7-10(20)3-2-9(13)6-14(25)19(27)24-12-4-5-28-17-11(12)8-23-16(15(17)21)18(22)26/h2-3,6-8,12H,4-5H2,1H3,(H2,22,26)(H,24,27)/t12-/m1/s1
InChIKeyLRBRUTIRVUGTBJ-GFCCVEGCSA-N
MW402.81 g/mol
LogP2.72
Rot. Bonds3

About (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide

(4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide (PubChem CID 177140251) has the molecular formula C19H16ClFN4O3 and a molecular weight of 402.81 g/mol. Its IUPAC name is (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name(4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
PubChem CID177140251
Molecular FormulaC19H16ClFN4O3
Molecular Weight402.81 g/mol
Exact Mass402.09
IUPAC Name(4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
SMILESCn1c(C(=O)N[C@@H]2CCOc3c2cnc(C(N)=O)c3F)cc2ccc(Cl)cc21
InChIInChI=1S/C19H16ClFN4O3/c1-25-13-7-10(20)3-2-9(13)6-14(25)19(27)24-12-4-5-28-17-11(12)8-23-16(15(17)21)18(22)26/h2-3,6-8,12H,4-5H2,1H3,(H2,22,26)(H,24,27)/t12-/m1/s1
InChIKeyLRBRUTIRVUGTBJ-GFCCVEGCSA-N
XLogP2.72
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.81
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide
CID 177140466
6-chloro-N-[7-(2-hydroxypropan-2-yl)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-4-yl]-1-methylindole-2-carboxamide
CID 177140522
6-chloro-N-(2-cyclopropyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-8-yl)-1-methylindole-2-carboxamide
CID 177140227
6-chloro-1-methyl-N-[(4R)-7-(methylcarbamoyl)-3,4-dihydro-2H-chromen-4-yl]indole-2-carboxamide
CID 177140131
6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)indole-2-carboxamide
CID 177140147
6-chloro-1-methyl-N-(7-sulfamoyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)indole-2-carboxamide
CID 177139990
6-chloro-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-methylindole-2-carboxamide
CID 177140108
6-chloro-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177140066
6-chloro-1-methyl-N-(3-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)indole-2-carboxamide
CID 177139885
6-chloro-N-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-yl]-1-methylindole-2-carboxamide;ethane
CID 177140219
6-chloro-N-(6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177139941
6-chloro-N-[1-(2-cyclopropylpyrimidin-5-yl)ethyl]-1-methylindole-2-carboxamide
CID 177140177

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide?
The IUPAC name of (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide (CID 177140251) is (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide is Cn1c(C(=O)N[C@@H]2CCOc3c2cnc(C(N)=O)c3F)cc2ccc(Cl)cc21.
What is the InChIKey of (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide?
The InChIKey is LRBRUTIRVUGTBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H16ClFN4O3/c1-25-13-7-10(20)3-2-9(13)6-14(25)19(27)24-12-4-5-28-17-11(12)8-23-16(15(17)21)18(22)26/h2-3,6-8,12H,4-5H2,1H3,(H2,22,26)(H,24,27)/t12-/m1/s1.
What are the key properties of (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide?
(4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide has a molecular weight of 402.81 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(6-chloro-1-methylindole-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 177140251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).