2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile

C16H20N4 — CID 66410874

IUPAC2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCC(N)Cc1cn(CC2(CC#N)CC2)c2ncccc12
InChIInChI=1S/C16H20N4/c1-12(18)9-13-10-20(11-16(4-5-16)6-7-17)15-14(13)3-2-8-19-15/h2-3,8,10,12H,4-6,9,11,18H2,1H3
InChIKeyBUNGGCPNHXXVDN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.62
Rot. Bonds5

About 2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 66410874) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID66410874
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESCC(N)Cc1cn(CC2(CC#N)CC2)c2ncccc12
InChIInChI=1S/C16H20N4/c1-12(18)9-13-10-20(11-16(4-5-16)6-7-17)15-14(13)3-2-8-19-15/h2-3,8,10,12H,4-6,9,11,18H2,1H3
InChIKeyBUNGGCPNHXXVDN-UHFFFAOYSA-N
XLogP2.62
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile (CID 66410874) is 2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile is CC(N)Cc1cn(CC2(CC#N)CC2)c2ncccc12.
What is the InChIKey of 2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is BUNGGCPNHXXVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12(18)9-13-10-20(11-16(4-5-16)6-7-17)15-14(13)3-2-8-19-15/h2-3,8,10,12H,4-6,9,11,18H2,1H3.
What are the key properties of 2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 268.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 66410874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).