N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide

C26H33N7O2S — CID 147411992

IUPACN-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)n(CC2CC2)n1
InChIInChI=1S/C26H33N7O2S/c1-26(2,3)20-13-22(33(32-20)15-17-4-5-17)30-24(35)31-25-28-14-19(36-25)9-6-16-10-11-27-21(12-16)29-23(34)18-7-8-18/h10-14,17-18H,4-9,15H2,1-3H3,(H,27,29,34)(H2,28,30,31,35)
InChIKeyDQUGYOLXCYVOGT-UHFFFAOYSA-N
MW507.66 g/mol
LogP5.22
Rot. Bonds9

About N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 147411992) has the molecular formula C26H33N7O2S and a molecular weight of 507.66 g/mol. Its IUPAC name is N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID147411992
Molecular FormulaC26H33N7O2S
Molecular Weight507.66 g/mol
Exact Mass507.24
IUPAC NameN-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)n(CC2CC2)n1
InChIInChI=1S/C26H33N7O2S/c1-26(2,3)20-13-22(33(32-20)15-17-4-5-17)30-24(35)31-25-28-14-19(36-25)9-6-16-10-11-27-21(12-16)29-23(34)18-7-8-18/h10-14,17-18H,4-9,15H2,1-3H3,(H,27,29,34)(H2,28,30,31,35)
InChIKeyDQUGYOLXCYVOGT-UHFFFAOYSA-N
XLogP5.22
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.66
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide (CID 147411992) is N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide is CC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CC4)c3)s2)n(CC2CC2)n1.
What is the InChIKey of N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is DQUGYOLXCYVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2S/c1-26(2,3)20-13-22(33(32-20)15-17-4-5-17)30-24(35)31-25-28-14-19(36-25)9-6-16-10-11-27-21(12-16)29-23(34)18-7-8-18/h10-14,17-18H,4-9,15H2,1-3H3,(H,27,29,34)(H2,28,30,31,35).
What are the key properties of N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 507.66 g/mol, XLogP of 5.22, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 147411992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).