N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine

C23H16N8S — CID 137387371

IUPACN-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
SMILESc1cc(Nc2ccc(-c3cn[nH]c3)nc2)nc(-c2ccc3cc(-c4nccs4)[nH]c3c2)n1
InChIInChI=1S/C23H16N8S/c1-2-15(10-19-14(1)9-20(30-19)23-25-7-8-32-23)22-24-6-5-21(31-22)29-17-3-4-18(26-13-17)16-11-27-28-12-16/h1-13,30H,(H,27,28)(H,24,29,31)
InChIKeyVOXXCAPLHNUSLO-UHFFFAOYSA-N
MW436.50 g/mol
LogP5.28
Rot. Bonds5

About N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine

N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine (PubChem CID 137387371) has the molecular formula C23H16N8S and a molecular weight of 436.50 g/mol. Its IUPAC name is N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
PubChem CID137387371
Molecular FormulaC23H16N8S
Molecular Weight436.50 g/mol
Exact Mass436.12
IUPAC NameN-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
SMILESc1cc(Nc2ccc(-c3cn[nH]c3)nc2)nc(-c2ccc3cc(-c4nccs4)[nH]c3c2)n1
InChIInChI=1S/C23H16N8S/c1-2-15(10-19-14(1)9-20(30-19)23-25-7-8-32-23)22-24-6-5-21(31-22)29-17-3-4-18(26-13-17)16-11-27-28-12-16/h1-13,30H,(H,27,28)(H,24,29,31)
InChIKeyVOXXCAPLHNUSLO-UHFFFAOYSA-N
XLogP5.28
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138117
2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,3-thiazole
CID 135559063
N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
CDK inhibitor 4.35
CID 138105941
6-N-imidazol-1-yl-4-N-(1H-indol-5-yl)-6-N-(3-phenylpropyl)thieno[3,2-d]pyrimidine-4,6-diamine
CID 44316744
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-Indazol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382857
(S)-N1-(5-(1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654255
N-cyclohexyl-6-(1H-indazol-5-yl)imidazo[2,1-b]thiazol-5-amine
CID 25166869
5-[12-[4-(Piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-thiazole
CID 44546426
N2-(3-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44565013

Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine?
The IUPAC name of N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine (CID 137387371) is N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine?
The canonical SMILES for N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine is c1cc(Nc2ccc(-c3cn[nH]c3)nc2)nc(-c2ccc3cc(-c4nccs4)[nH]c3c2)n1.
What is the InChIKey of N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine?
The InChIKey is VOXXCAPLHNUSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8S/c1-2-15(10-19-14(1)9-20(30-19)23-25-7-8-32-23)22-24-6-5-21(31-22)29-17-3-4-18(26-13-17)16-11-27-28-12-16/h1-13,30H,(H,27,28)(H,24,29,31).
What are the key properties of N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine?
N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine has a molecular weight of 436.50 g/mol, XLogP of 5.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-pyrazol-4-yl)-3-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine is sourced from PubChem (CID 137387371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).