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

C23H29N7O2S — CID 162454406

IUPACN-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CC3)c2)s1
InChIInChI=1S/C23H29N7O2S/c1-23(2,3)17-12-19(30(4)29-17)27-21(32)28-22-25-13-16(33-22)8-5-14-9-10-24-18(11-14)26-20(31)15-6-7-15/h9-13,15H,5-8H2,1-4H3,(H,24,26,31)(H2,25,27,28,32)
InChIKeyOGVAWDMEINTGIK-UHFFFAOYSA-N
MW467.60 g/mol
LogP4.35
Rot. Bonds7

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

N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 162454406) has the molecular formula C23H29N7O2S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID162454406
Molecular FormulaC23H29N7O2S
Molecular Weight467.60 g/mol
Exact Mass467.21
IUPAC NameN-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CC3)c2)s1
InChIInChI=1S/C23H29N7O2S/c1-23(2,3)17-12-19(30(4)29-17)27-21(32)28-22-25-13-16(33-22)8-5-14-9-10-24-18(11-14)26-20(31)15-6-7-15/h9-13,15H,5-8H2,1-4H3,(H,24,26,31)(H2,25,27,28,32)
InChIKeyOGVAWDMEINTGIK-UHFFFAOYSA-N
XLogP4.35
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide (CID 162454406) is N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-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-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide is Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CC3)c2)s1.
What is the InChIKey of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is OGVAWDMEINTGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2S/c1-23(2,3)17-12-19(30(4)29-17)27-21(32)28-22-25-13-16(33-22)8-5-14-9-10-24-18(11-14)26-20(31)15-6-7-15/h9-13,15H,5-8H2,1-4H3,(H,24,26,31)(H2,25,27,28,32).
What are the key properties of N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 467.60 g/mol, XLogP of 4.35, 7 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-methylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 162454406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).