4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide

C27H27F2N7O4 — CID 136602103

IUPAC4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide
SMILESCCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4c(O)cncc4C(N)=O)n3)c(C)c2C2CC2)c(F)c1
InChIInChI=1S/C27H27F2N7O4/c1-4-40-15-7-18(28)17(19(29)8-15)12-36-24(14-5-6-14)13(2)22(35-36)27-32-11-21(39-3)26(34-27)33-23-16(25(30)38)9-31-10-20(23)37/h7-11,14,37H,4-6,12H2,1-3H3,(H2,30,38)(H,31,32,33,34)
InChIKeyRJHMHYVYRKDOKJ-UHFFFAOYSA-N
MW551.55 g/mol
LogP4.20
Rot. Bonds10

About 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide

4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide (PubChem CID 136602103) has the molecular formula C27H27F2N7O4 and a molecular weight of 551.55 g/mol. Its IUPAC name is 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide
PubChem CID136602103
Molecular FormulaC27H27F2N7O4
Molecular Weight551.55 g/mol
Exact Mass551.21
IUPAC Name4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide
SMILESCCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4c(O)cncc4C(N)=O)n3)c(C)c2C2CC2)c(F)c1
InChIInChI=1S/C27H27F2N7O4/c1-4-40-15-7-18(28)17(19(29)8-15)12-36-24(14-5-6-14)13(2)22(35-36)27-32-11-21(39-3)26(34-27)33-23-16(25(30)38)9-31-10-20(23)37/h7-11,14,37H,4-6,12H2,1-3H3,(H2,30,38)(H,31,32,33,34)
InChIKeyRJHMHYVYRKDOKJ-UHFFFAOYSA-N
XLogP4.20
TPSA150.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.55
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide with MolForge

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Related Compounds

ethyl 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 71612141
N-[3-[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxypropylidene-methyl-oxo-λ6-sulfanyl]-2,2,2-trifluoroacetamide
CID 123703414
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-4-N,6-N-di(pyrimidin-4-yl)pyrimidine-4,6-diamine
CID 86567950
1-cyclohexyl-3-[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]urea
CID 86567915
4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 86764282
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridin-3-yl]-5-methoxy-N-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 130430033
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyrimidin-4-ylpyrimidin-4-amine
CID 86580753
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridazin-4-ylpyrimidin-4-amine
CID 86268107
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 130430079
4-[[2-[4-chloro-1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 86580733
N-[[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]methyl]pyrazine-2-carboxamide
CID 140701618
2-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxy-1-(3-fluoroazetidin-1-yl)ethanone
CID 89487470

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide (CID 136602103) is 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide is CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4c(O)cncc4C(N)=O)n3)c(C)c2C2CC2)c(F)c1.
What is the InChIKey of 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide?
The InChIKey is RJHMHYVYRKDOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N7O4/c1-4-40-15-7-18(28)17(19(29)8-15)12-36-24(14-5-6-14)13(2)22(35-36)27-32-11-21(39-3)26(34-27)33-23-16(25(30)38)9-31-10-20(23)37/h7-11,14,37H,4-6,12H2,1-3H3,(H2,30,38)(H,31,32,33,34).
What are the key properties of 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide?
4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide has a molecular weight of 551.55 g/mol, XLogP of 4.20, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 136602103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).