N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

C27H33N5O4 — CID 163261735

IUPACN-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
SMILESCO[C@@]1(c2cc(C)cc(-n3cc(C4CCN(C(C)=O)CC4)c4cnc(NC(C)=O)cc43)n2)CCOC1
InChIInChI=1S/C27H33N5O4/c1-17-11-24(27(35-4)7-10-36-16-27)30-26(12-17)32-15-22(20-5-8-31(9-6-20)19(3)34)21-14-28-25(13-23(21)32)29-18(2)33/h11-15,20H,5-10,16H2,1-4H3,(H,28,29,33)/t27-/m0/s1
InChIKeyNUVZNYBNFOERFQ-MHZLTWQESA-N
MW491.59 g/mol
LogP3.68
Rot. Bonds5

About N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (PubChem CID 163261735) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
PubChem CID163261735
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC NameN-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
SMILESCO[C@@]1(c2cc(C)cc(-n3cc(C4CCN(C(C)=O)CC4)c4cnc(NC(C)=O)cc43)n2)CCOC1
InChIInChI=1S/C27H33N5O4/c1-17-11-24(27(35-4)7-10-36-16-27)30-26(12-17)32-15-22(20-5-8-31(9-6-20)19(3)34)21-14-28-25(13-23(21)32)29-18(2)33/h11-15,20H,5-10,16H2,1-4H3,(H,28,29,33)/t27-/m0/s1
InChIKeyNUVZNYBNFOERFQ-MHZLTWQESA-N
XLogP3.68
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (CID 163261735) is N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is CO[C@@]1(c2cc(C)cc(-n3cc(C4CCN(C(C)=O)CC4)c4cnc(NC(C)=O)cc43)n2)CCOC1.
What is the InChIKey of N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The InChIKey is NUVZNYBNFOERFQ-MHZLTWQESA-N. The full InChI is InChI=1S/C27H33N5O4/c1-17-11-24(27(35-4)7-10-36-16-27)30-26(12-17)32-15-22(20-5-8-31(9-6-20)19(3)34)21-14-28-25(13-23(21)32)29-18(2)33/h11-15,20H,5-10,16H2,1-4H3,(H,28,29,33)/t27-/m0/s1.
What are the key properties of N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide has a molecular weight of 491.59 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 163261735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).