1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

C34H35N9O2 — CID 170694148

IUPAC1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCc1ccnc([C@H]2C[C@@H]2c2cc(N(C)C)c3ccc(NCc4cn5cc(C6CC6)cc(N6CC(=O)N(C)C6=O)c5n4)cc3n2)n1
InChIInChI=1S/C34H35N9O2/c1-19-9-10-35-32(37-19)26-13-25(26)28-14-29(40(2)3)24-8-7-22(12-27(24)39-28)36-15-23-17-42-16-21(20-5-6-20)11-30(33(42)38-23)43-18-31(44)41(4)34(43)45/h7-12,14,16-17,20,25-26,36H,5-6,13,15,18H2,1-4H3/t25-,26-/m0/s1
InChIKeyWNTYDEHTMJLFRW-UIOOFZCWSA-N
MW601.72 g/mol
LogP5.21
Rot. Bonds8

About 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 170694148) has the molecular formula C34H35N9O2 and a molecular weight of 601.72 g/mol. Its IUPAC name is 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
PubChem CID170694148
Molecular FormulaC34H35N9O2
Molecular Weight601.72 g/mol
Exact Mass601.29
IUPAC Name1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCc1ccnc([C@H]2C[C@@H]2c2cc(N(C)C)c3ccc(NCc4cn5cc(C6CC6)cc(N6CC(=O)N(C)C6=O)c5n4)cc3n2)n1
InChIInChI=1S/C34H35N9O2/c1-19-9-10-35-32(37-19)26-13-25(26)28-14-29(40(2)3)24-8-7-22(12-27(24)39-28)36-15-23-17-42-16-21(20-5-6-20)11-30(33(42)38-23)43-18-31(44)41(4)34(43)45/h7-12,14,16-17,20,25-26,36H,5-6,13,15,18H2,1-4H3/t25-,26-/m0/s1
InChIKeyWNTYDEHTMJLFRW-UIOOFZCWSA-N
XLogP5.21
TPSA111.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.72
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (CID 170694148) is 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is Cc1ccnc([C@H]2C[C@@H]2c2cc(N(C)C)c3ccc(NCc4cn5cc(C6CC6)cc(N6CC(=O)N(C)C6=O)c5n4)cc3n2)n1.
What is the InChIKey of 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is WNTYDEHTMJLFRW-UIOOFZCWSA-N. The full InChI is InChI=1S/C34H35N9O2/c1-19-9-10-35-32(37-19)26-13-25(26)28-14-29(40(2)3)24-8-7-22(12-27(24)39-28)36-15-23-17-42-16-21(20-5-6-20)11-30(33(42)38-23)43-18-31(44)41(4)34(43)45/h7-12,14,16-17,20,25-26,36H,5-6,13,15,18H2,1-4H3/t25-,26-/m0/s1.
What are the key properties of 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 601.72 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 170694148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).