(2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide

C27H25N5O2 — CID 162687013

IUPAC(2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide
SMILESC[C@H](C(=O)Nc1cc(-c2[nH]c3c(c2-c2ccccc2)C(=O)N(C)CC3)ccn1)c1ccncc1
InChIInChI=1S/C27H25N5O2/c1-17(18-8-12-28-13-9-18)26(33)31-22-16-20(10-14-29-22)25-23(19-6-4-3-5-7-19)24-21(30-25)11-15-32(2)27(24)34/h3-10,12-14,16-17,30H,11,15H2,1-2H3,(H,29,31,33)/t17-/m0/s1
InChIKeyZOVJNBZRGMYPLD-KRWDZBQOSA-N
MW451.53 g/mol
LogP4.51
Rot. Bonds5

About (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide

(2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide (PubChem CID 162687013) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide
PubChem CID162687013
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name(2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide
SMILESC[C@H](C(=O)Nc1cc(-c2[nH]c3c(c2-c2ccccc2)C(=O)N(C)CC3)ccn1)c1ccncc1
InChIInChI=1S/C27H25N5O2/c1-17(18-8-12-28-13-9-18)26(33)31-22-16-20(10-14-29-22)25-23(19-6-4-3-5-7-19)24-21(30-25)11-15-32(2)27(24)34/h3-10,12-14,16-17,30H,11,15H2,1-2H3,(H,29,31,33)/t17-/m0/s1
InChIKeyZOVJNBZRGMYPLD-KRWDZBQOSA-N
XLogP4.51
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide?
The IUPAC name of (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide (CID 162687013) is (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide is C[C@H](C(=O)Nc1cc(-c2[nH]c3c(c2-c2ccccc2)C(=O)N(C)CC3)ccn1)c1ccncc1.
What is the InChIKey of (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide?
The InChIKey is ZOVJNBZRGMYPLD-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-17(18-8-12-28-13-9-18)26(33)31-22-16-20(10-14-29-22)25-23(19-6-4-3-5-7-19)24-21(30-25)11-15-32(2)27(24)34/h3-10,12-14,16-17,30H,11,15H2,1-2H3,(H,29,31,33)/t17-/m0/s1.
What are the key properties of (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide?
(2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide has a molecular weight of 451.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide is sourced from PubChem (CID 162687013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).