6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine

C27H34N6O — CID 69177973

IUPAC6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine
SMILESCCN1CCN(Cc2ccc(N3C=C(NCc4ccnc(OC)c4)c4cc[nH]c4C3)cc2)CC1
InChIInChI=1S/C27H34N6O/c1-3-31-12-14-32(15-13-31)18-21-4-6-23(7-5-21)33-19-25-24(9-11-28-25)26(20-33)30-17-22-8-10-29-27(16-22)34-2/h4-11,16,20,28,30H,3,12-15,17-19H2,1-2H3
InChIKeyCKMWRWWYZOSMGV-UHFFFAOYSA-N
MW458.61 g/mol
LogP3.66
Rot. Bonds8

About 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine

6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine (PubChem CID 69177973) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine.

Molecular Properties

Compound Name6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine
PubChem CID69177973
Molecular FormulaC27H34N6O
Molecular Weight458.61 g/mol
Exact Mass458.28
IUPAC Name6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine
SMILESCCN1CCN(Cc2ccc(N3C=C(NCc4ccnc(OC)c4)c4cc[nH]c4C3)cc2)CC1
InChIInChI=1S/C27H34N6O/c1-3-31-12-14-32(15-13-31)18-21-4-6-23(7-5-21)33-19-25-24(9-11-28-25)26(20-33)30-17-22-8-10-29-27(16-22)34-2/h4-11,16,20,28,30H,3,12-15,17-19H2,1-2H3
InChIKeyCKMWRWWYZOSMGV-UHFFFAOYSA-N
XLogP3.66
TPSA59.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine?
The IUPAC name of 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine (CID 69177973) is 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine.
What is the SMILES notation for 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine?
The canonical SMILES for 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine is CCN1CCN(Cc2ccc(N3C=C(NCc4ccnc(OC)c4)c4cc[nH]c4C3)cc2)CC1.
What is the InChIKey of 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine?
The InChIKey is CKMWRWWYZOSMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-3-31-12-14-32(15-13-31)18-21-4-6-23(7-5-21)33-19-25-24(9-11-28-25)26(20-33)30-17-22-8-10-29-27(16-22)34-2/h4-11,16,20,28,30H,3,12-15,17-19H2,1-2H3.
What are the key properties of 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine?
6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine has a molecular weight of 458.61 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,7-dihydropyrrolo[2,3-c]pyridin-4-amine is sourced from PubChem (CID 69177973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).