[2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite

C18H25N4O3P — CID 170613889

IUPAC[2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite
SMILESCCN1CCc2[nH]c(N)c(/C=C(\N)c3ccccc3OP(O)O)c2C1C
InChIInChI=1S/C18H25N4O3P/c1-3-22-9-8-15-17(11(22)2)13(18(20)21-15)10-14(19)12-6-4-5-7-16(12)25-26(23)24/h4-7,10-11,21,23-24H,3,8-9,19-20H2,1-2H3/b14-10-
InChIKeyNRBMTBQASGOXEW-UVTDQMKNSA-N
MW376.40 g/mol
LogP2.58
Rot. Bonds5

About [2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite

[2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite (PubChem CID 170613889) has the molecular formula C18H25N4O3P and a molecular weight of 376.40 g/mol. Its IUPAC name is [2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite
PubChem CID170613889
Molecular FormulaC18H25N4O3P
Molecular Weight376.40 g/mol
Exact Mass376.17
IUPAC Name[2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite
SMILESCCN1CCc2[nH]c(N)c(/C=C(\N)c3ccccc3OP(O)O)c2C1C
InChIInChI=1S/C18H25N4O3P/c1-3-22-9-8-15-17(11(22)2)13(18(20)21-15)10-14(19)12-6-4-5-7-16(12)25-26(23)24/h4-7,10-11,21,23-24H,3,8-9,19-20H2,1-2H3/b14-10-
InChIKeyNRBMTBQASGOXEW-UVTDQMKNSA-N
XLogP2.58
TPSA120.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite?
The IUPAC name of [2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite (CID 170613889) is [2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite.
What is the SMILES notation for [2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite?
The canonical SMILES for [2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite is CCN1CCc2[nH]c(N)c(/C=C(\N)c3ccccc3OP(O)O)c2C1C.
What is the InChIKey of [2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite?
The InChIKey is NRBMTBQASGOXEW-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H25N4O3P/c1-3-22-9-8-15-17(11(22)2)13(18(20)21-15)10-14(19)12-6-4-5-7-16(12)25-26(23)24/h4-7,10-11,21,23-24H,3,8-9,19-20H2,1-2H3/b14-10-.
What are the key properties of [2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite?
[2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite has a molecular weight of 376.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-1-amino-2-(2-amino-5-ethyl-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl)ethenyl]phenyl] dihydrogen phosphite is sourced from PubChem (CID 170613889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).