6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione

C25H29N5O6 — CID 166877639

IUPAC6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCOc1ccc(CNc2cc(Nc3cc(C)c4n(c3=O)C(C)(C)NC4=O)c(C(O)O)cn2)c(OC)c1
InChIInChI=1S/C25H29N5O6/c1-13-8-18(23(32)30-21(13)22(31)29-25(30,2)3)28-17-10-20(27-12-16(17)24(33)34)26-11-14-6-7-15(35-4)9-19(14)36-5/h6-10,12,24,33-34H,11H2,1-5H3,(H,29,31)(H2,26,27,28)
InChIKeyJURPDVXFAZYLCW-UHFFFAOYSA-N
MW495.54 g/mol
LogP2.34
Rot. Bonds8

About 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione

6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 166877639) has the molecular formula C25H29N5O6 and a molecular weight of 495.54 g/mol. Its IUPAC name is 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID166877639
Molecular FormulaC25H29N5O6
Molecular Weight495.54 g/mol
Exact Mass495.21
IUPAC Name6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCOc1ccc(CNc2cc(Nc3cc(C)c4n(c3=O)C(C)(C)NC4=O)c(C(O)O)cn2)c(OC)c1
InChIInChI=1S/C25H29N5O6/c1-13-8-18(23(32)30-21(13)22(31)29-25(30,2)3)28-17-10-20(27-12-16(17)24(33)34)26-11-14-6-7-15(35-4)9-19(14)36-5/h6-10,12,24,33-34H,11H2,1-5H3,(H,29,31)(H2,26,27,28)
InChIKeyJURPDVXFAZYLCW-UHFFFAOYSA-N
XLogP2.34
TPSA146.97 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 52.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione with MolForge

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Related Compounds

6-[(2,4-dimethoxyphenyl)methylamino]-4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]pyridine-3-carboxylic acid
CID 155035457
6-[[2-[(2,4-dimethoxyphenyl)methylamino]-5-methyl-4-pyridinyl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 166877743
3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 160750705
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
CID 154640277
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide
CID 110179389
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine
CID 57476570
6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen
CID 158478502
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 166877639) is 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is COc1ccc(CNc2cc(Nc3cc(C)c4n(c3=O)C(C)(C)NC4=O)c(C(O)O)cn2)c(OC)c1.
What is the InChIKey of 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is JURPDVXFAZYLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O6/c1-13-8-18(23(32)30-21(13)22(31)29-25(30,2)3)28-17-10-20(27-12-16(17)24(33)34)26-11-14-6-7-15(35-4)9-19(14)36-5/h6-10,12,24,33-34H,11H2,1-5H3,(H,29,31)(H2,26,27,28).
What are the key properties of 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 495.54 g/mol, XLogP of 2.34, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(dihydroxymethyl)-2-[(2,4-dimethoxyphenyl)methylamino]-4-pyridinyl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 166877639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).