lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide

About lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide

lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide (PubChem CID 155697934) has the molecular formula C28H41LiN8O3-2 and a molecular weight of 544.63 g/mol. Its IUPAC name is lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide.

Molecular Properties

Compound Name	lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide
PubChem CID	155697934
Molecular Formula	C28H41LiN8O3-2
Molecular Weight	544.63 g/mol
Exact Mass	544.35
IUPAC Name	lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide
SMILES	CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC[N-]CC4)cc3OC)nc2N1C1CCCC1.[CH3-].[Li+].[NH2-]
InChI	InChI=1S/C27H36N7O3.CH3.Li.H2N/c1-4-21-26(36)33(2)22-16-29-27(32-24(22)34(21)19-7-5-6-8-19)31-20-10-9-17(15-23(20)37-3)25(35)30-18-11-13-28-14-12-18;;;/h9-10,15-16,18-19,21H,4-8,11-14H2,1-3H3,(H,30,35)(H,29,31,32);1H3;;1H2/q2*-1;+1;-1/t21-;;;/m1.../s1
InChIKey	FAPYEWXILMXYDN-RFCADEKQSA-N
XLogP	2.17
TPSA	147.29 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.63
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide?

The IUPAC name of lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide (CID 155697934) is lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide.

What is the SMILES notation for lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide?

The canonical SMILES for lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide is CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC[N-]CC4)cc3OC)nc2N1C1CCCC1.[CH3-].[Li+].[NH2-].

What is the InChIKey of lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide?

The InChIKey is FAPYEWXILMXYDN-RFCADEKQSA-N. The full InChI is InChI=1S/C27H36N7O3.CH3.Li.H2N/c1-4-21-26(36)33(2)22-16-29-27(32-24(22)34(21)19-7-5-6-8-19)31-20-10-9-17(15-23(20)37-3)25(35)30-18-11-13-28-14-12-18;;;/h9-10,15-16,18-19,21H,4-8,11-14H2,1-3H3,(H,30,35)(H,29,31,32);1H3;;1H2/q2*-1;+1;-1/t21-;;;/m1.../s1.

What are the key properties of lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide?

lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide has a molecular weight of 544.63 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;azanide;carbanide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-piperidin-1-id-4-ylbenzamide is sourced from PubChem (CID 155697934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).