N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

C20H21N5OS — CID 154633841

IUPACN-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESO=CN(c1cc(C2=CCN(Cc3ccns3)CC2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C20H21N5OS/c26-13-25(15-1-2-15)19-11-18(17-4-7-21-20(17)23-19)14-5-9-24(10-6-14)12-16-3-8-22-27-16/h3-5,7-8,11,13,15H,1-2,6,9-10,12H2,(H,21,23)
InChIKeyMHLSYBIOOBKTEU-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.43
Rot. Bonds6

About N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (PubChem CID 154633841) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
PubChem CID154633841
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESO=CN(c1cc(C2=CCN(Cc3ccns3)CC2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C20H21N5OS/c26-13-25(15-1-2-15)19-11-18(17-4-7-21-20(17)23-19)14-5-9-24(10-6-14)12-16-3-8-22-27-16/h3-5,7-8,11,13,15H,1-2,6,9-10,12H2,(H,21,23)
InChIKeyMHLSYBIOOBKTEU-UHFFFAOYSA-N
XLogP3.43
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The IUPAC name of N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (CID 154633841) is N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The canonical SMILES for N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is O=CN(c1cc(C2=CCN(Cc3ccns3)CC2)c2cc[nH]c2n1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The InChIKey is MHLSYBIOOBKTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-13-25(15-1-2-15)19-11-18(17-4-7-21-20(17)23-19)14-5-9-24(10-6-14)12-16-3-8-22-27-16/h3-5,7-8,11,13,15H,1-2,6,9-10,12H2,(H,21,23).
What are the key properties of N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide has a molecular weight of 379.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is sourced from PubChem (CID 154633841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).