2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine

C24H17ClF3N7O — CID 67431766

IUPAC2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine
SMILESCOc1cncc(-c2c(N)nc(-n3nc(C(F)c4cccc(F)c4F)c4cc(Cl)ccc43)nc2N)c1
InChIInChI=1S/C24H17ClF3N7O/c1-36-13-7-11(9-31-10-13)18-22(29)32-24(33-23(18)30)35-17-6-5-12(25)8-15(17)21(34-35)20(28)14-3-2-4-16(26)19(14)27/h2-10,20H,1H3,(H4,29,30,32,33)
InChIKeyPTCCGHJHBPBJGU-UHFFFAOYSA-N
MW511.90 g/mol
LogP5.04
Rot. Bonds5

About 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine

2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine (PubChem CID 67431766) has the molecular formula C24H17ClF3N7O and a molecular weight of 511.90 g/mol. Its IUPAC name is 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine
PubChem CID67431766
Molecular FormulaC24H17ClF3N7O
Molecular Weight511.90 g/mol
Exact Mass511.11
IUPAC Name2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine
SMILESCOc1cncc(-c2c(N)nc(-n3nc(C(F)c4cccc(F)c4F)c4cc(Cl)ccc43)nc2N)c1
InChIInChI=1S/C24H17ClF3N7O/c1-36-13-7-11(9-31-10-13)18-22(29)32-24(33-23(18)30)35-17-6-5-12(25)8-15(17)21(34-35)20(28)14-3-2-4-16(26)19(14)27/h2-10,20H,1H3,(H4,29,30,32,33)
InChIKeyPTCCGHJHBPBJGU-UHFFFAOYSA-N
XLogP5.04
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.90
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine (CID 67431766) is 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine is COc1cncc(-c2c(N)nc(-n3nc(C(F)c4cccc(F)c4F)c4cc(Cl)ccc43)nc2N)c1.
What is the InChIKey of 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine?
The InChIKey is PTCCGHJHBPBJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N7O/c1-36-13-7-11(9-31-10-13)18-22(29)32-24(33-23(18)30)35-17-6-5-12(25)8-15(17)21(34-35)20(28)14-3-2-4-16(26)19(14)27/h2-10,20H,1H3,(H4,29,30,32,33).
What are the key properties of 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine?
2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine has a molecular weight of 511.90 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-[(2,3-difluorophenyl)-fluoromethyl]indazol-1-yl]-5-(5-methoxy-3-pyridinyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 67431766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).