1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile

C16H11N7S — CID 175936920

IUPAC1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESCNc1cc(-n2ccc3cc(C#N)cnc32)ncc1-c1nncs1
InChIInChI=1S/C16H11N7S/c1-18-13-5-14(19-8-12(13)16-22-21-9-24-16)23-3-2-11-4-10(6-17)7-20-15(11)23/h2-5,7-9H,1H3,(H,18,19)
InChIKeyKEAMTEJWMANGNX-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.85
Rot. Bonds3

About 1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile

1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 175936920) has the molecular formula C16H11N7S and a molecular weight of 333.38 g/mol. Its IUPAC name is 1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID175936920
Molecular FormulaC16H11N7S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESCNc1cc(-n2ccc3cc(C#N)cnc32)ncc1-c1nncs1
InChIInChI=1S/C16H11N7S/c1-18-13-5-14(19-8-12(13)16-22-21-9-24-16)23-3-2-11-4-10(6-17)7-20-15(11)23/h2-5,7-9H,1H3,(H,18,19)
InChIKeyKEAMTEJWMANGNX-UHFFFAOYSA-N
XLogP2.85
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 175936920) is 1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile is CNc1cc(-n2ccc3cc(C#N)cnc32)ncc1-c1nncs1.
What is the InChIKey of 1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is KEAMTEJWMANGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7S/c1-18-13-5-14(19-8-12(13)16-22-21-9-24-16)23-3-2-11-4-10(6-17)7-20-15(11)23/h2-5,7-9H,1H3,(H,18,19).
What are the key properties of 1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile?
1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 333.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 175936920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).