N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol

C22H33N9O3S — CID 142483654

IUPACN-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol
SMILESCC(CO)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3c(cn2)CN(SN2CCCC2)C3)n1.CO
InChIInChI=1S/C21H29N9O2S.CH4O/c1-14(13-31)30(23)20(27-22)17-5-4-6-19(25-17)26-21(32)18-9-15-11-29(12-16(15)10-24-18)33-28-7-2-3-8-28;1-2/h4-6,9-10,14,31H,2-3,7-8,11-13,22-23H2,1H3,(H,25,26,32);2H,1H3/b27-20-;
InChIKeyJIIFOMWYYLFUCX-HNKVEKQCSA-N
MW503.63 g/mol
LogP0.49
Rot. Bonds7

About N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol

N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol (PubChem CID 142483654) has the molecular formula C22H33N9O3S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol.

Molecular Properties

Compound NameN-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol
PubChem CID142483654
Molecular FormulaC22H33N9O3S
Molecular Weight503.63 g/mol
Exact Mass503.24
IUPAC NameN-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol
SMILESCC(CO)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3c(cn2)CN(SN2CCCC2)C3)n1.CO
InChIInChI=1S/C21H29N9O2S.CH4O/c1-14(13-31)30(23)20(27-22)17-5-4-6-19(25-17)26-21(32)18-9-15-11-29(12-16(15)10-24-18)33-28-7-2-3-8-28;1-2/h4-6,9-10,14,31H,2-3,7-8,11-13,22-23H2,1H3,(H,25,26,32);2H,1H3/b27-20-;
InChIKeyJIIFOMWYYLFUCX-HNKVEKQCSA-N
XLogP0.49
TPSA169.46 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 50.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol with MolForge

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Related Compounds

N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 142483588
7-N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-N-cyclopropyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
CID 142483955
N-[6-[N-amino-N-(1-hydroxypropan-2-yl)-N'-methylcarbamimidoyl]-2-pyridinyl]-6-methyl-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 142483687
tert-butyl 7-[[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 142483788
N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide
CID 174349810
N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide
CID 142483883
7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
CID 142483705
N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-6-fluoro-2-(3-methoxypropanoyl)-1,3-dihydroisoindole-5-carboxamide
CID 142483574
7-N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-N-ethyl-6-methoxy-3,4-dihydro-1H-isoquinoline-2,7-dicarboxamide
CID 142483794
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide
CID 142483418
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopropylmethylsulfanyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 142483768
N-[6-(N-hydrazinyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-6-methoxy-2-pyrrolidin-1-ylsulfanyl-1,3-dihydroisoindole-5-carboxamide
CID 142483732

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol?
The IUPAC name of N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol (CID 142483654) is N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol.
What is the SMILES notation for N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol?
The canonical SMILES for N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol is CC(CO)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3c(cn2)CN(SN2CCCC2)C3)n1.CO.
What is the InChIKey of N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol?
The InChIKey is JIIFOMWYYLFUCX-HNKVEKQCSA-N. The full InChI is InChI=1S/C21H29N9O2S.CH4O/c1-14(13-31)30(23)20(27-22)17-5-4-6-19(25-17)26-21(32)18-9-15-11-29(12-16(15)10-24-18)33-28-7-2-3-8-28;1-2/h4-6,9-10,14,31H,2-3,7-8,11-13,22-23H2,1H3,(H,25,26,32);2H,1H3/b27-20-;.
What are the key properties of N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol?
N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol has a molecular weight of 503.63 g/mol, XLogP of 0.49, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol is sourced from PubChem (CID 142483654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).