[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

C26H28ClN5O3 — CID 71084945

IUPAC[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOC(c1ccc(NCc2ccc(Cl)cc2)nc1)c1c[nH]c2ncc(OCCN3CCOCC3)cc12
InChIInChI=1S/C26H28ClN5O3/c27-20-4-1-18(2-5-20)14-28-24-6-3-19(15-29-24)25(33)23-17-31-26-22(23)13-21(16-30-26)35-12-9-32-7-10-34-11-8-32/h1-6,13,15-17,25,33H,7-12,14H2,(H,28,29)(H,30,31)
InChIKeyJROHDYUHNBKRDR-UHFFFAOYSA-N
MW494.00 g/mol
LogP4.02
Rot. Bonds9

About [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 71084945) has the molecular formula C26H28ClN5O3 and a molecular weight of 494.00 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID71084945
Molecular FormulaC26H28ClN5O3
Molecular Weight494.00 g/mol
Exact Mass493.19
IUPAC Name[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOC(c1ccc(NCc2ccc(Cl)cc2)nc1)c1c[nH]c2ncc(OCCN3CCOCC3)cc12
InChIInChI=1S/C26H28ClN5O3/c27-20-4-1-18(2-5-20)14-28-24-6-3-19(15-29-24)25(33)23-17-31-26-22(23)13-21(16-30-26)35-12-9-32-7-10-34-11-8-32/h1-6,13,15-17,25,33H,7-12,14H2,(H,28,29)(H,30,31)
InChIKeyJROHDYUHNBKRDR-UHFFFAOYSA-N
XLogP4.02
TPSA95.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.00
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 71084945) is [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is OC(c1ccc(NCc2ccc(Cl)cc2)nc1)c1c[nH]c2ncc(OCCN3CCOCC3)cc12.
What is the InChIKey of [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is JROHDYUHNBKRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3/c27-20-4-1-18(2-5-20)14-28-24-6-3-19(15-29-24)25(33)23-17-31-26-22(23)13-21(16-30-26)35-12-9-32-7-10-34-11-8-32/h1-6,13,15-17,25,33H,7-12,14H2,(H,28,29)(H,30,31).
What are the key properties of [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 494.00 g/mol, XLogP of 4.02, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 71084945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).