2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine

C22H14N6S — CID 10309599

IUPAC2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESc1ccc2sc(-c3nc(Nc4ccc5[nH]ncc5c4)c4cccnc4n3)cc2c1
InChIInChI=1S/C22H14N6S/c1-2-6-18-13(4-1)11-19(29-18)22-26-20-16(5-3-9-23-20)21(27-22)25-15-7-8-17-14(10-15)12-24-28-17/h1-12H,(H,24,28)(H,23,25,26,27)
InChIKeyUMIIABSEBQEFPL-UHFFFAOYSA-N
MW394.46 g/mol
LogP5.53
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine

2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10309599) has the molecular formula C22H14N6S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID10309599
Molecular FormulaC22H14N6S
Molecular Weight394.46 g/mol
Exact Mass394.10
IUPAC Name2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESc1ccc2sc(-c3nc(Nc4ccc5[nH]ncc5c4)c4cccnc4n3)cc2c1
InChIInChI=1S/C22H14N6S/c1-2-6-18-13(4-1)11-19(29-18)22-26-20-16(5-3-9-23-20)21(27-22)25-15-7-8-17-14(10-15)12-24-28-17/h1-12H,(H,24,28)(H,23,25,26,27)
InChIKeyUMIIABSEBQEFPL-UHFFFAOYSA-N
XLogP5.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.46
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine
CID 44316765
(1H-Indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 9884465
(3-Methyl-1H-indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382736
[6-(4-Aminomethyl-phenyl)-thieno[3,2-d]pyrimidin-4-yl]-(1H-indol-5-yl)-amine
CID 18382775
(1H-Indazol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382857
N-(1H-Indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
CID 18382956
4-N-(1H-indazol-5-yl)quinazoline-4,6-diamine
CID 23366754
N2-(3-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44565013
N4-(3-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 46224695
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224696
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(2-(piperidin-4-yl)ethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224698

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 10309599) is 2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine is c1ccc2sc(-c3nc(Nc4ccc5[nH]ncc5c4)c4cccnc4n3)cc2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is UMIIABSEBQEFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6S/c1-2-6-18-13(4-1)11-19(29-18)22-26-20-16(5-3-9-23-20)21(27-22)25-15-7-8-17-14(10-15)12-24-28-17/h1-12H,(H,24,28)(H,23,25,26,27).
What are the key properties of 2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine?
2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 394.46 g/mol, XLogP of 5.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-N-(1H-indazol-5-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10309599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).