N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine

C21H26N4O2 — CID 158636499

IUPACN-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine
SMILESCOc1ccc(Nc2ccnc3c2C=NC3)cc1OCCCN1CCCC1
InChIInChI=1S/C21H26N4O2/c1-26-20-6-5-16(24-18-7-8-23-19-15-22-14-17(18)19)13-21(20)27-12-4-11-25-9-2-3-10-25/h5-8,13-14H,2-4,9-12,15H2,1H3,(H,23,24)
InChIKeyHZVJFJPMHZXQFS-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.63
Rot. Bonds8

About N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine

N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine (PubChem CID 158636499) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine
PubChem CID158636499
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine
SMILESCOc1ccc(Nc2ccnc3c2C=NC3)cc1OCCCN1CCCC1
InChIInChI=1S/C21H26N4O2/c1-26-20-6-5-16(24-18-7-8-23-19-15-22-14-17(18)19)13-21(20)27-12-4-11-25-9-2-3-10-25/h5-8,13-14H,2-4,9-12,15H2,1H3,(H,23,24)
InChIKeyHZVJFJPMHZXQFS-UHFFFAOYSA-N
XLogP3.63
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-amine
CID 166650087
2-[[2-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)anilino]-4-pyridinyl]amino]-N-methyl-N-phenylacetamide;molecular hydrogen
CID 145385424
3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093802
4-N-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-2-N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
CID 171599051
4-N-(3-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-yl)-2-N-[3-methoxy-4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
CID 176696478
4-methoxy-N-[(E)-1-[2-(methylamino)prop-2-enylideneamino]prop-1-en-2-yl]-3-(3-pyrrolidin-1-ylpropoxy)aniline
CID 145385526
3-ethyl-5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]pyridazine
CID 158445104
1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine
CID 169337129
1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 61493815
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825
2-imidazol-1-yl-6-methoxy-N-pyridin-4-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 163446240
8-methoxy-1-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137356382

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine?
The IUPAC name of N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine (CID 158636499) is N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine?
The canonical SMILES for N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine is COc1ccc(Nc2ccnc3c2C=NC3)cc1OCCCN1CCCC1.
What is the InChIKey of N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine?
The InChIKey is HZVJFJPMHZXQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-26-20-6-5-16(24-18-7-8-23-19-15-22-14-17(18)19)13-21(20)27-12-4-11-25-9-2-3-10-25/h5-8,13-14H,2-4,9-12,15H2,1H3,(H,23,24).
What are the key properties of N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine?
N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-7H-pyrrolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 158636499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).