N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

C26H40N8O — CID 59225272

IUPACN-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESCC(C)N1CCC(n2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)cn2)CC1
InChIInChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)
InChIKeyMJCWEXGCJMNQGR-UHFFFAOYSA-N
MW480.66 g/mol
LogP4.06
Rot. Bonds11

About N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (PubChem CID 59225272) has the molecular formula C26H40N8O and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
PubChem CID59225272
Molecular FormulaC26H40N8O
Molecular Weight480.66 g/mol
Exact Mass480.33
IUPAC NameN-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESCC(C)N1CCC(n2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)cn2)CC1
InChIInChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)
InChIKeyMJCWEXGCJMNQGR-UHFFFAOYSA-N
XLogP4.06
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (CID 59225272) is N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is CC(C)N1CCC(n2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)cn2)CC1.
What is the InChIKey of N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is MJCWEXGCJMNQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32).
What are the key properties of N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 480.66 g/mol, XLogP of 4.06, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 59225272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).