2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid

C26H35N5O3 — CID 23994341

IUPAC2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccn2c(NC(C)(C)C)c(-c3ccc(N(C)C)cc3)nc2c1)C(=O)O
InChIInChI=1S/C26H35N5O3/c1-8-16(2)21(25(33)34)28-24(32)18-13-14-31-20(15-18)27-22(23(31)29-26(3,4)5)17-9-11-19(12-10-17)30(6)7/h9-16,21,29H,8H2,1-7H3,(H,28,32)(H,33,34)
InChIKeyVOQFVIXSGZLPHC-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.51
Rot. Bonds8

About 2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid

2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid (PubChem CID 23994341) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
PubChem CID23994341
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccn2c(NC(C)(C)C)c(-c3ccc(N(C)C)cc3)nc2c1)C(=O)O
InChIInChI=1S/C26H35N5O3/c1-8-16(2)21(25(33)34)28-24(32)18-13-14-31-20(15-18)27-22(23(31)29-26(3,4)5)17-9-11-19(12-10-17)30(6)7/h9-16,21,29H,8H2,1-7H3,(H,28,32)(H,33,34)
InChIKeyVOQFVIXSGZLPHC-UHFFFAOYSA-N
XLogP4.51
TPSA98.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid (CID 23994341) is 2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1ccn2c(NC(C)(C)C)c(-c3ccc(N(C)C)cc3)nc2c1)C(=O)O.
What is the InChIKey of 2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The InChIKey is VOQFVIXSGZLPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-8-16(2)21(25(33)34)28-24(32)18-13-14-31-20(15-18)27-22(23(31)29-26(3,4)5)17-9-11-19(12-10-17)30(6)7/h9-16,21,29H,8H2,1-7H3,(H,28,32)(H,33,34).
What are the key properties of 2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid has a molecular weight of 465.60 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 23994341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).