(5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone

C19H20N6O2 — CID 166385879

IUPAC(5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc3cnccc3[nH]2)CCN1C(=O)c1cncc(N)c1
InChIInChI=1S/C19H20N6O2/c1-12-11-24(19(27)17-7-13-8-21-3-2-16(13)23-17)4-5-25(12)18(26)14-6-15(20)10-22-9-14/h2-3,6-10,12,23H,4-5,11,20H2,1H3/t12-/m1/s1
InChIKeyBHAINYPHPJRPPY-GFCCVEGCSA-N
MW364.41 g/mol
LogP1.53
Rot. Bonds2

About (5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone

(5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 166385879) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is (5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID166385879
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name(5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc3cnccc3[nH]2)CCN1C(=O)c1cncc(N)c1
InChIInChI=1S/C19H20N6O2/c1-12-11-24(19(27)17-7-13-8-21-3-2-16(13)23-17)4-5-25(12)18(26)14-6-15(20)10-22-9-14/h2-3,6-10,12,23H,4-5,11,20H2,1H3/t12-/m1/s1
InChIKeyBHAINYPHPJRPPY-GFCCVEGCSA-N
XLogP1.53
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetic acid
CID 155255124
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
CID 167987190
ethane;2-methyl-1-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 163264781
(6-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanone
CID 154785347
[4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 112811843
(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 63118391
N-tert-butyl-2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetamide
CID 155255237
(4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 89180119
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone
CID 46880773
[(3S)-4-(4-iodobenzoyl)-3-methylpiperazin-1-yl]-(4-iodophenyl)methanone
CID 98089596

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone (CID 166385879) is (5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2cc3cnccc3[nH]2)CCN1C(=O)c1cncc(N)c1.
What is the InChIKey of (5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is BHAINYPHPJRPPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-11-24(19(27)17-7-13-8-21-3-2-16(13)23-17)4-5-25(12)18(26)14-6-15(20)10-22-9-14/h2-3,6-10,12,23H,4-5,11,20H2,1H3/t12-/m1/s1.
What are the key properties of (5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone?
(5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 364.41 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridinyl)-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166385879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).