4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride

C20H25ClFN7O2 — CID 172551798

IUPAC4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride
SMILESCCOc1nc(N2CCNCC2)ncc1C(=O)Nc1cc2cn(C)nc2c(F)c1C.Cl
InChIInChI=1S/C20H24FN7O2.ClH/c1-4-30-19-14(10-23-20(25-19)28-7-5-22-6-8-28)18(29)24-15-9-13-11-27(3)26-17(13)16(21)12(15)2;/h9-11,22H,4-8H2,1-3H3,(H,24,29);1H
InChIKeyYNSRYZFBUNDSIP-UHFFFAOYSA-N
MW449.92 g/mol
LogP2.29
Rot. Bonds5

About 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride

4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride (PubChem CID 172551798) has the molecular formula C20H25ClFN7O2 and a molecular weight of 449.92 g/mol. Its IUPAC name is 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride
PubChem CID172551798
Molecular FormulaC20H25ClFN7O2
Molecular Weight449.92 g/mol
Exact Mass449.17
IUPAC Name4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride
SMILESCCOc1nc(N2CCNCC2)ncc1C(=O)Nc1cc2cn(C)nc2c(F)c1C.Cl
InChIInChI=1S/C20H24FN7O2.ClH/c1-4-30-19-14(10-23-20(25-19)28-7-5-22-6-8-28)18(29)24-15-9-13-11-27(3)26-17(13)16(21)12(15)2;/h9-11,22H,4-8H2,1-3H3,(H,24,29);1H
InChIKeyYNSRYZFBUNDSIP-UHFFFAOYSA-N
XLogP2.29
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride with MolForge

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Related Compounds

tert-butyl (2S)-4-[4-ethoxy-5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate
CID 172551724
2-(5,8-diazaspiro[2.6]nonan-8-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108694
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(3-piperazin-1-ylpyrrolidin-1-yl)pyrimidine-5-carboxamide
CID 177108594
2-(4,7-diazaspiro[2.5]octan-7-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 175897407
2-[(3S)-3-(2,2-difluoroethyl)piperazin-1-yl]-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide;hydrochloride
CID 172551837
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrimidine-5-carboxamide
CID 177108754
4-ethoxy-N-(7-methoxy-2-methylindazol-5-yl)-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide;4-methylbenzenesulfonic acid
CID 175897273
N-(7-fluoro-2-methylindazol-5-yl)-5-piperazin-1-ylpyrido[4,3-c]pyridazine-8-carboxamide
CID 167500344
4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyrimidine-5-carboxamide
CID 177108543
2-(2,7-diazaspiro[4.5]decan-7-yl)-4-ethoxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 177108717
tert-butyl N-[1-[4-ethoxy-5-[(2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]azetidin-3-yl]-N-methylcarbamate
CID 172551782
4-ethoxy-N-(2-methylindazol-5-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 168914380

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride (CID 172551798) is 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride is CCOc1nc(N2CCNCC2)ncc1C(=O)Nc1cc2cn(C)nc2c(F)c1C.Cl.
What is the InChIKey of 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride?
The InChIKey is YNSRYZFBUNDSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O2.ClH/c1-4-30-19-14(10-23-20(25-19)28-7-5-22-6-8-28)18(29)24-15-9-13-11-27(3)26-17(13)16(21)12(15)2;/h9-11,22H,4-8H2,1-3H3,(H,24,29);1H.
What are the key properties of 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride?
4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride has a molecular weight of 449.92 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(7-fluoro-2,6-dimethylindazol-5-yl)-2-piperazin-1-ylpyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 172551798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).