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

C26H35N7O3S — CID 151147902

IUPACN-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1
InChIInChI=1S/C26H35N7O3S/c1-26(2,3)20-14-22(33(32-20)16-18-5-6-18)30-24(35)31-25-28-15-19(37-25)8-7-17-9-11-27-21(13-17)29-23(34)10-12-36-4/h9,11,13-15,18H,5-8,10,12,16H2,1-4H3,(H,27,29,34)(H2,28,30,31,35)
InChIKeyMXPBRSJPVSEWEM-UHFFFAOYSA-N
MW525.68 g/mol
LogP4.85
Rot. Bonds11

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

N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide (PubChem CID 151147902) has the molecular formula C26H35N7O3S and a molecular weight of 525.68 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]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide
PubChem CID151147902
Molecular FormulaC26H35N7O3S
Molecular Weight525.68 g/mol
Exact Mass525.25
IUPAC NameN-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1
InChIInChI=1S/C26H35N7O3S/c1-26(2,3)20-14-22(33(32-20)16-18-5-6-18)30-24(35)31-25-28-15-19(37-25)8-7-17-9-11-27-21(13-17)29-23(34)10-12-36-4/h9,11,13-15,18H,5-8,10,12,16H2,1-4H3,(H,27,29,34)(H2,28,30,31,35)
InChIKeyMXPBRSJPVSEWEM-UHFFFAOYSA-N
XLogP4.85
TPSA123.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.68
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide 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]-3-methoxypropanamide?
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]-3-methoxypropanamide (CID 151147902) is N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide.
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]-3-methoxypropanamide?
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]-3-methoxypropanamide is COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1.
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]-3-methoxypropanamide?
The InChIKey is MXPBRSJPVSEWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O3S/c1-26(2,3)20-14-22(33(32-20)16-18-5-6-18)30-24(35)31-25-28-15-19(37-25)8-7-17-9-11-27-21(13-17)29-23(34)10-12-36-4/h9,11,13-15,18H,5-8,10,12,16H2,1-4H3,(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]-3-methoxypropanamide?
N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide has a molecular weight of 525.68 g/mol, XLogP of 4.85, 11 rotatable bonds, 3 hydrogen bond donors, and 8 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]-3-methoxypropanamide is sourced from PubChem (CID 151147902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).