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

C26H29FN8S — CID 164709823

IUPAC4-(3-cyclopropyl-2,6-dimethylthieno[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(C6CC6)n(C)nc5c4C)n3)nc1)C2
InChIInChI=1S/C26H29FN8S/c1-4-34-11-26(12-34)13-35(14-26)17-7-8-19(28-9-17)30-25-29-10-18(27)21(31-25)23-15(2)20-24(36-23)22(16-5-6-16)33(3)32-20/h7-10,16H,4-6,11-14H2,1-3H3,(H,28,29,30,31)
InChIKeyNACZNBYIFLJCFH-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.70
Rot. Bonds6

About 4-(3-cyclopropyl-2,6-dimethylthieno[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-(3-cyclopropyl-2,6-dimethylthieno[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 164709823) has the molecular formula C26H29FN8S and a molecular weight of 504.64 g/mol. Its IUPAC name is 4-(3-cyclopropyl-2,6-dimethylthieno[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-(3-cyclopropyl-2,6-dimethylthieno[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 CID164709823
Molecular FormulaC26H29FN8S
Molecular Weight504.64 g/mol
Exact Mass504.22
IUPAC Name4-(3-cyclopropyl-2,6-dimethylthieno[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(C6CC6)n(C)nc5c4C)n3)nc1)C2
InChIInChI=1S/C26H29FN8S/c1-4-34-11-26(12-34)13-35(14-26)17-7-8-19(28-9-17)30-25-29-10-18(27)21(31-25)23-15(2)20-24(36-23)22(16-5-6-16)33(3)32-20/h7-10,16H,4-6,11-14H2,1-3H3,(H,28,29,30,31)
InChIKeyNACZNBYIFLJCFH-UHFFFAOYSA-N
XLogP4.70
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(3-cyclopropyl-2,6-dimethylthieno[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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Related Compounds

(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-[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
(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 99
CID 164709709
US11685744, Example 100
CID 164709710
US11685744, Example 125
CID 164709711
US11685744, Example 32
CID 164709719
US11685744, Example 67
CID 164709725
US11685744, Example 4
CID 164709759
US11685744, Example 15
CID 164709763
US11685744, Example 112
CID 164709773

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-2,6-dimethylthieno[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-(3-cyclopropyl-2,6-dimethylthieno[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 164709823) is 4-(3-cyclopropyl-2,6-dimethylthieno[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-(3-cyclopropyl-2,6-dimethylthieno[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-(3-cyclopropyl-2,6-dimethylthieno[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(C6CC6)n(C)nc5c4C)n3)nc1)C2.
What is the InChIKey of 4-(3-cyclopropyl-2,6-dimethylthieno[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 NACZNBYIFLJCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8S/c1-4-34-11-26(12-34)13-35(14-26)17-7-8-19(28-9-17)30-25-29-10-18(27)21(31-25)23-15(2)20-24(36-23)22(16-5-6-16)33(3)32-20/h7-10,16H,4-6,11-14H2,1-3H3,(H,28,29,30,31).
What are the key properties of 4-(3-cyclopropyl-2,6-dimethylthieno[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-(3-cyclopropyl-2,6-dimethylthieno[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 504.64 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-2,6-dimethylthieno[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 164709823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).