(7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

C16H21N5O2 — CID 97390159

IUPAC(7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCc1ccc(N2Cc3ncn(CC(C)C)c3[C@H](C(=O)O)C2)nn1
InChIInChI=1S/C16H21N5O2/c1-10(2)6-21-9-17-13-8-20(7-12(15(13)21)16(22)23)14-5-4-11(3)18-19-14/h4-5,9-10,12H,6-8H2,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyHXIMMNSTNFPHJK-GFCCVEGCSA-N
MW315.38 g/mol
LogP1.83
Rot. Bonds4

About (7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

(7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 97390159) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name(7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID97390159
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCc1ccc(N2Cc3ncn(CC(C)C)c3[C@H](C(=O)O)C2)nn1
InChIInChI=1S/C16H21N5O2/c1-10(2)6-21-9-17-13-8-20(7-12(15(13)21)16(22)23)14-5-4-11(3)18-19-14/h4-5,9-10,12H,6-8H2,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyHXIMMNSTNFPHJK-GFCCVEGCSA-N
XLogP1.83
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 97390160
(7R)-1-(2-methylpropyl)-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 97390165
(7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 97390164
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131650769
1-[(3aS,6aR)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 161222245
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 134076240
(3S,4S)-4-cyclopropyl-1-(6-methylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 72858383
N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 166622544
4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoic acid
CID 19748270
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399

Frequently Asked Questions

What is the IUPAC name of (7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of (7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (CID 97390159) is (7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for (7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for (7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is Cc1ccc(N2Cc3ncn(CC(C)C)c3[C@H](C(=O)O)C2)nn1.
What is the InChIKey of (7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is HXIMMNSTNFPHJK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)6-21-9-17-13-8-20(7-12(15(13)21)16(22)23)14-5-4-11(3)18-19-14/h4-5,9-10,12H,6-8H2,1-3H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
(7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 97390159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).