N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide

About N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide

N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide (PubChem CID 163677655) has the molecular formula C23H28N8O2S and a molecular weight of 480.60 g/mol. Its IUPAC name is N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name	N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide
PubChem CID	163677655
Molecular Formula	C23H28N8O2S
Molecular Weight	480.60 g/mol
Exact Mass	480.21
IUPAC Name	N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide
SMILES	CNc1cc(Oc2ccnc(NC(C)=O)c2)cnc1NC(=S)Nc1cc2n(n1)CCCC2(C)C
InChI	InChI=1S/C23H28N8O2S/c1-14(32)27-19-11-15(6-8-25-19)33-16-10-17(24-4)21(26-13-16)29-22(34)28-20-12-18-23(2,3)7-5-9-31(18)30-20/h6,8,10-13,24H,5,7,9H2,1-4H3,(H,25,27,32)(H2,26,28,29,30,34)
InChIKey	JIBVUOZNRCIXDA-UHFFFAOYSA-N
XLogP	4.35
TPSA	118.02 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.60
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide (CID 163677655) is N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide is CNc1cc(Oc2ccnc(NC(C)=O)c2)cnc1NC(=S)Nc1cc2n(n1)CCCC2(C)C.

What is the InChIKey of N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide?

The InChIKey is JIBVUOZNRCIXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2S/c1-14(32)27-19-11-15(6-8-25-19)33-16-10-17(24-4)21(26-13-16)29-22(34)28-20-12-18-23(2,3)7-5-9-31(18)30-20/h6,8,10-13,24H,5,7,9H2,1-4H3,(H,25,27,32)(H2,26,28,29,30,34).

What are the key properties of N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide?

N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide has a molecular weight of 480.60 g/mol, XLogP of 4.35, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[6-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)carbamothioylamino]-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 163677655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).