4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine

C25H31FN8S — CID 164709723

IUPAC4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
SMILESCCN1CCN(c2ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)nn(C)c5c4C)n3)nc2)CC1
InChIInChI=1S/C25H31FN8S/c1-6-33-9-11-34(12-10-33)17-7-8-19(27-13-17)29-25-28-14-18(26)21(30-25)23-16(4)22-24(35-23)20(15(2)3)31-32(22)5/h7-8,13-15H,6,9-12H2,1-5H3,(H,27,28,29,30)
InChIKeyWXYZGMOTVTWECQ-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.94
Rot. Bonds6

About 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine

4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine (PubChem CID 164709723) has the molecular formula C25H31FN8S and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
PubChem CID164709723
Molecular FormulaC25H31FN8S
Molecular Weight494.64 g/mol
Exact Mass494.24
IUPAC Name4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
SMILESCCN1CCN(c2ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)nn(C)c5c4C)n3)nc2)CC1
InChIInChI=1S/C25H31FN8S/c1-6-33-9-11-34(12-10-33)17-7-8-19(27-13-17)29-25-28-14-18(26)21(30-25)23-16(4)22-24(35-23)20(15(2)3)31-32(22)5/h7-8,13-15H,6,9-12H2,1-5H3,(H,27,28,29,30)
InChIKeyWXYZGMOTVTWECQ-UHFFFAOYSA-N
XLogP4.94
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine with MolForge

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Related Compounds

5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979519
5-(2-Fluorophenyl)sulfanyl-2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-4-amine
CID 118032891
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088569
N4-[3-(dimethylamino)propyl]-N2-methyl-6-(4-pyrazol-1-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 76332494
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4S)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 155511235
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine
CID 155518287
N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155533686
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(1-methyl-5-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 155548206
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridazin-3-ylpyrimidin-2-amine
CID 155552566
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 155558991

Frequently Asked Questions

What is the IUPAC name of 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine (CID 164709723) is 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine is CCN1CCN(c2ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)nn(C)c5c4C)n3)nc2)CC1.
What is the InChIKey of 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
The InChIKey is WXYZGMOTVTWECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN8S/c1-6-33-9-11-34(12-10-33)17-7-8-19(27-13-17)29-25-28-14-18(26)21(30-25)23-16(4)22-24(35-23)20(15(2)3)31-32(22)5/h7-8,13-15H,6,9-12H2,1-5H3,(H,27,28,29,30).
What are the key properties of 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine has a molecular weight of 494.64 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 164709723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).