N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine

C26H18FN5S — CID 102082848

IUPACN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESFc1cccc(Cn2ncc3cc(Nc4ncnc5c(-c6ccccc6)csc45)ccc32)c1
InChIInChI=1S/C26H18FN5S/c27-20-8-4-5-17(11-20)14-32-23-10-9-21(12-19(23)13-30-32)31-26-25-24(28-16-29-26)22(15-33-25)18-6-2-1-3-7-18/h1-13,15-16H,14H2,(H,28,29,31)
InChIKeyLRZRKVCJCQSISA-UHFFFAOYSA-N
MW451.53 g/mol
LogP6.64
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine

N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102082848) has the molecular formula C26H18FN5S and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102082848
Molecular FormulaC26H18FN5S
Molecular Weight451.53 g/mol
Exact Mass451.13
IUPAC NameN-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESFc1cccc(Cn2ncc3cc(Nc4ncnc5c(-c6ccccc6)csc45)ccc32)c1
InChIInChI=1S/C26H18FN5S/c27-20-8-4-5-17(11-20)14-32-23-10-9-21(12-19(23)13-30-32)31-26-25-24(28-16-29-26)22(15-33-25)18-6-2-1-3-7-18/h1-13,15-16H,14H2,(H,28,29,31)
InChIKeyLRZRKVCJCQSISA-UHFFFAOYSA-N
XLogP6.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(NZ)-N-[[4-amino-6-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidin-5-yl]methylidene]hydroxylamine
CID 59011847
4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxypyrimidine-5-carbaldehyde
CID 141400530
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxyquinazolin-4-amine
CID 141314754
(E)-3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methylpyrimidin-5-yl]prop-2-enoic acid
CID 141400540
6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine
CID 87968546
(E)-3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidin-5-yl]prop-2-enoic acid
CID 141400499
(2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol
CID 10115560
(2R)-3-[11-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-16-thia-4,5,12,14-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,10,12,14-hexaen-4-yl]propane-1,2-diol
CID 58346590
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(4-methoxyphenyl)hydrazinylidene]methyl]pyrimidine-4,6-diamine
CID 66920497
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-piperazin-1-yl-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 59380369
4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-N-(5-formyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 141400546
ethyl (E)-3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methylpyrimidin-5-yl]prop-2-enoate
CID 141400528

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine (CID 102082848) is N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine is Fc1cccc(Cn2ncc3cc(Nc4ncnc5c(-c6ccccc6)csc45)ccc32)c1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is LRZRKVCJCQSISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5S/c27-20-8-4-5-17(11-20)14-32-23-10-9-21(12-19(23)13-30-32)31-26-25-24(28-16-29-26)22(15-33-25)18-6-2-1-3-7-18/h1-13,15-16H,14H2,(H,28,29,31).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine?
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 451.53 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-7-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102082848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).