2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide

C25H19Cl2N7O2 — CID 71554582

IUPAC2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide
SMILESCOc1cnc(-c2nn(Cc3c(Cl)ccc(C(N)=O)c3Cl)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C25H19Cl2N7O2/c1-36-20-12-30-25(32-24(20)31-14-8-10-29-11-9-14)22-15-4-2-3-5-19(15)34(33-22)13-17-18(26)7-6-16(21(17)27)23(28)35/h2-12H,13H2,1H3,(H2,28,35)(H,29,30,31,32)
InChIKeyQJPYVEGHAFJSLD-UHFFFAOYSA-N
MW520.38 g/mol
LogP5.09
Rot. Bonds7

About 2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide

2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide (PubChem CID 71554582) has the molecular formula C25H19Cl2N7O2 and a molecular weight of 520.38 g/mol. Its IUPAC name is 2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide
PubChem CID71554582
Molecular FormulaC25H19Cl2N7O2
Molecular Weight520.38 g/mol
Exact Mass519.10
IUPAC Name2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide
SMILESCOc1cnc(-c2nn(Cc3c(Cl)ccc(C(N)=O)c3Cl)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C25H19Cl2N7O2/c1-36-20-12-30-25(32-24(20)31-14-8-10-29-11-9-14)22-15-4-2-3-5-19(15)34(33-22)13-17-18(26)7-6-16(21(17)27)23(28)35/h2-12H,13H2,1H3,(H2,28,35)(H,29,30,31,32)
InChIKeyQJPYVEGHAFJSLD-UHFFFAOYSA-N
XLogP5.09
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.38
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride
CID 89488624
1-[3,5-difluoro-4-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]ethanone
CID 86732438
5-methoxy-2-[1-(3-methylbut-2-enyl)indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
CID 130430073
3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 86269149
2-[3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]-2-methylpropanoic acid
CID 89487718
ethyl 3-[3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]-2-methylpropanoate
CID 140809546
2-[3,5-difluoro-4-[[3-[5-methoxy-4-[(2-methyl-4-pyridinyl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethyl (2S)-2-aminopropanoate
CID 118974946
4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 150397331
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridazin-4-ylpyrimidin-4-amine
CID 86268107
[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide
CID 71554316
4-[[5-methoxy-2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]pyrimidin-4-yl]amino]-1H-pyridin-2-one
CID 89495446
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 2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide (CID 71554582) is 2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide is COc1cnc(-c2nn(Cc3c(Cl)ccc(C(N)=O)c3Cl)c3ccccc23)nc1Nc1ccncc1.
What is the InChIKey of 2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide?
The InChIKey is QJPYVEGHAFJSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N7O2/c1-36-20-12-30-25(32-24(20)31-14-8-10-29-11-9-14)22-15-4-2-3-5-19(15)34(33-22)13-17-18(26)7-6-16(21(17)27)23(28)35/h2-12H,13H2,1H3,(H2,28,35)(H,29,30,31,32).
What are the key properties of 2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide?
2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide has a molecular weight of 520.38 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide is sourced from PubChem (CID 71554582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).