4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide

C24H27N9OS — CID 138547520

IUPAC4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESN/C(=C\Nc1cc(C(=O)Nc2csc(-c3nncn3C3CC3)n2)ncc1N1CC2CC2C1)C1CC1
InChIInChI=1S/C24H27N9OS/c25-17(13-1-2-13)7-26-18-6-19(27-8-20(18)32-9-14-5-15(14)10-32)23(34)29-21-11-35-24(30-21)22-31-28-12-33(22)16-3-4-16/h6-8,11-16H,1-5,9-10,25H2,(H,26,27)(H,29,34)/b17-7-
InChIKeyIMCBEMSGSURXSO-IDUWFGFVSA-N
MW489.61 g/mol
LogP3.46
Rot. Bonds8

About 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide

4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide (PubChem CID 138547520) has the molecular formula C24H27N9OS and a molecular weight of 489.61 g/mol. Its IUPAC name is 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
PubChem CID138547520
Molecular FormulaC24H27N9OS
Molecular Weight489.61 g/mol
Exact Mass489.21
IUPAC Name4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide
SMILESN/C(=C\Nc1cc(C(=O)Nc2csc(-c3nncn3C3CC3)n2)ncc1N1CC2CC2C1)C1CC1
InChIInChI=1S/C24H27N9OS/c25-17(13-1-2-13)7-26-18-6-19(27-8-20(18)32-9-14-5-15(14)10-32)23(34)29-21-11-35-24(30-21)22-31-28-12-33(22)16-3-4-16/h6-8,11-16H,1-5,9-10,25H2,(H,26,27)(H,29,34)/b17-7-
InChIKeyIMCBEMSGSURXSO-IDUWFGFVSA-N
XLogP3.46
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide (CID 138547520) is 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide is N/C(=C\Nc1cc(C(=O)Nc2csc(-c3nncn3C3CC3)n2)ncc1N1CC2CC2C1)C1CC1.
What is the InChIKey of 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?
The InChIKey is IMCBEMSGSURXSO-IDUWFGFVSA-N. The full InChI is InChI=1S/C24H27N9OS/c25-17(13-1-2-13)7-26-18-6-19(27-8-20(18)32-9-14-5-15(14)10-32)23(34)29-21-11-35-24(30-21)22-31-28-12-33(22)16-3-4-16/h6-8,11-16H,1-5,9-10,25H2,(H,26,27)(H,29,34)/b17-7-.
What are the key properties of 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide?
4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide has a molecular weight of 489.61 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-5-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 138547520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).