ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate

C18H16ClN5O3 — CID 171626464

IUPACethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Cl)nc1Nc1cccc2c1OCc1cn(C)nc1-2
InChIInChI=1S/C18H16ClN5O3/c1-3-26-17(25)12-7-20-18(19)22-16(12)21-13-6-4-5-11-14-10(8-24(2)23-14)9-27-15(11)13/h4-8H,3,9H2,1-2H3,(H,20,21,22)
InChIKeyKAVPEWICADFMQD-UHFFFAOYSA-N
MW385.81 g/mol
LogP3.34
Rot. Bonds4

About ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate

ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate (PubChem CID 171626464) has the molecular formula C18H16ClN5O3 and a molecular weight of 385.81 g/mol. Its IUPAC name is ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate
PubChem CID171626464
Molecular FormulaC18H16ClN5O3
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Nameethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Cl)nc1Nc1cccc2c1OCc1cn(C)nc1-2
InChIInChI=1S/C18H16ClN5O3/c1-3-26-17(25)12-7-20-18(19)22-16(12)21-13-6-4-5-11-14-10(8-24(2)23-14)9-27-15(11)13/h4-8H,3,9H2,1-2H3,(H,20,21,22)
InChIKeyKAVPEWICADFMQD-UHFFFAOYSA-N
XLogP3.34
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 2-chloro-4-[2-methoxy-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)anilino]pyrimidine-5-carboxylate
CID 171626449
tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate
CID 164944406
ethyl 2-chloro-4-(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22061051
ethyl 4-[5-[(3-aminophenyl)methoxymethyl]-2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-chloropyrimidine-5-carboxylate
CID 171437165
4-[(2-methyl-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazol-7-yl)amino]-2-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
CID 171626605
6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164944290
1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 175760883
ethyl 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-[(1-methylpyrazol-4-yl)methylamino]pyrimidine-5-carboxylate
CID 171626443
ethyl 4-[3-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-2-[(1-methylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
CID 171626369
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxylic acid
CID 166064429
2-amino-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyrimidine-5-carboxylic acid
CID 164944218
ethyl 4-[(2,5-dichloropyrimidin-4-yl)amino]thiophene-3-carboxylate
CID 170553588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate (CID 171626464) is ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(Cl)nc1Nc1cccc2c1OCc1cn(C)nc1-2.
What is the InChIKey of ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate?
The InChIKey is KAVPEWICADFMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3/c1-3-26-17(25)12-7-20-18(19)22-16(12)21-13-6-4-5-11-14-10(8-24(2)23-14)9-27-15(11)13/h4-8H,3,9H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate?
ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate has a molecular weight of 385.81 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 171626464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).