N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine

C24H15F2N7 — CID 162683473

IUPACN-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine
SMILESFc1cccc(CNc2nccc(-c3nccc(C#Cc4ccc5[nH]ncc5c4)n3)n2)c1F
InChIInChI=1S/C24H15F2N7/c25-19-3-1-2-16(22(19)26)13-29-24-28-11-9-21(32-24)23-27-10-8-18(31-23)6-4-15-5-7-20-17(12-15)14-30-33-20/h1-3,5,7-12,14H,13H2,(H,30,33)(H,28,29,32)
InChIKeyATUZPRIFUGGRBC-UHFFFAOYSA-N
MW439.43 g/mol
LogP4.10
Rot. Bonds4

About N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine

N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 162683473) has the molecular formula C24H15F2N7 and a molecular weight of 439.43 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID162683473
Molecular FormulaC24H15F2N7
Molecular Weight439.43 g/mol
Exact Mass439.14
IUPAC NameN-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine
SMILESFc1cccc(CNc2nccc(-c3nccc(C#Cc4ccc5[nH]ncc5c4)n3)n2)c1F
InChIInChI=1S/C24H15F2N7/c25-19-3-1-2-16(22(19)26)13-29-24-28-11-9-21(32-24)23-27-10-8-18(31-23)6-4-15-5-7-20-17(12-15)14-30-33-20/h1-3,5,7-12,14H,13H2,(H,30,33)(H,28,29,32)
InChIKeyATUZPRIFUGGRBC-UHFFFAOYSA-N
XLogP4.10
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]-N-(pyrimidin-2-ylmethyl)pyrimidin-2-amine
CID 162683464
(2S)-1-[[4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 162683266
N-[dideuterio(pyridin-2-yl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine
CID 162683347
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine
CID 162683343
5-[2-[2-[2-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]-1H-indazole
CID 155590025
2-N-[(2,3-difluorophenyl)methyl]-6-(1H-indazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 167249785
N'-[2-[4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindol-5-yl]-N-methylethane-1,2-diamine
CID 155590126
5-[2-[2-[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]-1H-indazole
CID 155590077
tert-butyl 7-fluoro-5-[2-[2-[2-[(5-fluoro-2-pyridinyl)methylamino]pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]indazole-1-carboxylate
CID 162683304
tert-butyl 5-[2-[2-[2-(1H-imidazol-2-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]ethynyl]indazole-1-carboxylate
CID 162683264
5-[2-[4-fluoro-6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole
CID 164941745
CID 162683375
CID 162683375

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine (CID 162683473) is N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine is Fc1cccc(CNc2nccc(-c3nccc(C#Cc4ccc5[nH]ncc5c4)n3)n2)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is ATUZPRIFUGGRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N7/c25-19-3-1-2-16(22(19)26)13-29-24-28-11-9-21(32-24)23-27-10-8-18(31-23)6-4-15-5-7-20-17(12-15)14-30-33-20/h1-3,5,7-12,14H,13H2,(H,30,33)(H,28,29,32).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine?
N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 439.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-4-[4-[2-(1H-indazol-5-yl)ethynyl]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 162683473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).