[2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol

C20H25N3O — CID 67422702

IUPAC[2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol
SMILESCCCn1c(C)c(CO)c2ccnc(N[C@@H](C)c3ccccc3)c21
InChIInChI=1S/C20H25N3O/c1-4-12-23-15(3)18(13-24)17-10-11-21-20(19(17)23)22-14(2)16-8-6-5-7-9-16/h5-11,14,24H,4,12-13H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyNIQGDRYZSBMFPK-AWEZNQCLSA-N
MW323.44 g/mol
LogP4.42
Rot. Bonds6

About [2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol

[2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol (PubChem CID 67422702) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol
PubChem CID67422702
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol
SMILESCCCn1c(C)c(CO)c2ccnc(N[C@@H](C)c3ccccc3)c21
InChIInChI=1S/C20H25N3O/c1-4-12-23-15(3)18(13-24)17-10-11-21-20(19(17)23)22-14(2)16-8-6-5-7-9-16/h5-11,14,24H,4,12-13H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyNIQGDRYZSBMFPK-AWEZNQCLSA-N
XLogP4.42
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol?
The IUPAC name of [2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol (CID 67422702) is [2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol is CCCn1c(C)c(CO)c2ccnc(N[C@@H](C)c3ccccc3)c21.
What is the InChIKey of [2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol?
The InChIKey is NIQGDRYZSBMFPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O/c1-4-12-23-15(3)18(13-24)17-10-11-21-20(19(17)23)22-14(2)16-8-6-5-7-9-16/h5-11,14,24H,4,12-13H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of [2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol?
[2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol has a molecular weight of 323.44 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-7-[[(1S)-1-phenylethyl]amino]-1-propylpyrrolo[2,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 67422702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).