4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine

C26H31FN8S — CID 164709806

IUPAC4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)n(C)nc5c4C)n3)nc1)C2
InChIInChI=1S/C26H31FN8S/c1-6-34-11-26(12-34)13-35(14-26)17-7-8-19(28-9-17)30-25-29-10-18(27)21(31-25)23-16(4)20-24(36-23)22(15(2)3)33(5)32-20/h7-10,15H,6,11-14H2,1-5H3,(H,28,29,30,31)
InChIKeyZYSSEHXVGDROEN-UHFFFAOYSA-N
MW506.66 g/mol
LogP4.94
Rot. Bonds6

About 4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine

4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine (PubChem CID 164709806) has the molecular formula C26H31FN8S and a molecular weight of 506.66 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
PubChem CID164709806
Molecular FormulaC26H31FN8S
Molecular Weight506.66 g/mol
Exact Mass506.24
IUPAC Name4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)n(C)nc5c4C)n3)nc1)C2
InChIInChI=1S/C26H31FN8S/c1-6-34-11-26(12-34)13-35(14-26)17-7-8-19(28-9-17)30-25-29-10-18(27)21(31-25)23-16(4)20-24(36-23)22(15(2)3)33(5)32-20/h7-10,15H,6,11-14H2,1-5H3,(H,28,29,30,31)
InChIKeyZYSSEHXVGDROEN-UHFFFAOYSA-N
XLogP4.94
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.66
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Cdk4/6-IN-3
CID 138911331
5-fluoro-N-[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 155568029
N4-[3-(dimethylamino)propyl]-N2-methyl-6-(4-pyrazol-1-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 76332494
(S)-3-Phenyl-N*1*-(2-pyridin-4-yl-7-[1,2,3]triazol-1-yl-thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
CID 89596271
(2S)-1-N-[7-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596344
(2S)-1-N-[6-tert-butyl-7-(1H-pyrazol-5-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596358
(2S)-1-N-[7-(1-methylpyrazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596360
(2S)-1-N-[7-(2-methylpyrazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596530
(2S)-1-N-[7-(1-methylpyrazol-4-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596533
(S)-3-Phenyl-N*1*-(7-pyrazol-1-yl-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
CID 89596535
US11685744, Example 7
CID 164709708
US11685744, Example 99
CID 164709709

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine (CID 164709806) is 4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine is CCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)n(C)nc5c4C)n3)nc1)C2.
What is the InChIKey of 4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
The InChIKey is ZYSSEHXVGDROEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN8S/c1-6-34-11-26(12-34)13-35(14-26)17-7-8-19(28-9-17)30-25-29-10-18(27)21(31-25)23-16(4)20-24(36-23)22(15(2)3)33(5)32-20/h7-10,15H,6,11-14H2,1-5H3,(H,28,29,30,31).
What are the key properties of 4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
4-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine has a molecular weight of 506.66 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-(2,6-dimethyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 164709806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).