[2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride

C25H21Cl3N6O2 — CID 89488624

IUPAC[2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride
SMILESCOc1cnc(-c2nn(Cc3c(Cl)ccc(CO)c3Cl)c3ccccc23)nc1Nc1ccncc1.Cl
InChIInChI=1S/C25H20Cl2N6O2.ClH/c1-35-21-12-29-25(31-24(21)30-16-8-10-28-11-9-16)23-17-4-2-3-5-20(17)33(32-23)13-18-19(26)7-6-15(14-34)22(18)27;/h2-12,34H,13-14H2,1H3,(H,28,29,30,31);1H
InChIKeyKRNWBXZBADKFKQ-UHFFFAOYSA-N
MW543.84 g/mol
LogP5.91
Rot. Bonds7

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

[2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride (PubChem CID 89488624) has the molecular formula C25H21Cl3N6O2 and a molecular weight of 543.84 g/mol. Its IUPAC name is [2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride
PubChem CID89488624
Molecular FormulaC25H21Cl3N6O2
Molecular Weight543.84 g/mol
Exact Mass542.08
IUPAC Name[2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride
SMILESCOc1cnc(-c2nn(Cc3c(Cl)ccc(CO)c3Cl)c3ccccc23)nc1Nc1ccncc1.Cl
InChIInChI=1S/C25H20Cl2N6O2.ClH/c1-35-21-12-29-25(31-24(21)30-16-8-10-28-11-9-16)23-17-4-2-3-5-20(17)33(32-23)13-18-19(26)7-6-15(14-34)22(18)27;/h2-12,34H,13-14H2,1H3,(H,28,29,30,31);1H
InChIKeyKRNWBXZBADKFKQ-UHFFFAOYSA-N
XLogP5.91
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.84
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]benzamide
CID 71554582
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
(2S)-3-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxypropane-1,2-diol
CID 89487399
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridazin-4-ylpyrimidin-4-amine
CID 86268107
N-[4-[[2-[1-[[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 118974944
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-2-ylpyrimidin-4-amine
CID 130405195
[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide
CID 71554316
4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 150397331

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]phenyl]methanol;hydrochloride?
The IUPAC name of [2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride (CID 89488624) is [2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride?
The canonical SMILES for [2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride is COc1cnc(-c2nn(Cc3c(Cl)ccc(CO)c3Cl)c3ccccc23)nc1Nc1ccncc1.Cl.
What is the InChIKey of [2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride?
The InChIKey is KRNWBXZBADKFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N6O2.ClH/c1-35-21-12-29-25(31-24(21)30-16-8-10-28-11-9-16)23-17-4-2-3-5-20(17)33(32-23)13-18-19(26)7-6-15(14-34)22(18)27;/h2-12,34H,13-14H2,1H3,(H,28,29,30,31);1H.
What are the key properties of [2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride?
[2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride has a molecular weight of 543.84 g/mol, XLogP of 5.91, 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]phenyl]methanol;hydrochloride is sourced from PubChem (CID 89488624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).