N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

C20H21FN6OS — CID 123615821

IUPACN-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESCC1CC1(F)c1ccc(NC(=O)C2CCN(c3ccnc4nsnc34)CC2)nc1
InChIInChI=1S/C20H21FN6OS/c1-12-10-20(12,21)14-2-3-16(23-11-14)24-19(28)13-5-8-27(9-6-13)15-4-7-22-18-17(15)25-29-26-18/h2-4,7,11-13H,5-6,8-10H2,1H3,(H,23,24,28)
InChIKeyVVJGSDGOOGVQEA-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.54
Rot. Bonds4

About N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (PubChem CID 123615821) has the molecular formula C20H21FN6OS and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
PubChem CID123615821
Molecular FormulaC20H21FN6OS
Molecular Weight412.49 g/mol
Exact Mass412.15
IUPAC NameN-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESCC1CC1(F)c1ccc(NC(=O)C2CCN(c3ccnc4nsnc34)CC2)nc1
InChIInChI=1S/C20H21FN6OS/c1-12-10-20(12,21)14-2-3-16(23-11-14)24-19(28)13-5-8-27(9-6-13)15-4-7-22-18-17(15)25-29-26-18/h2-4,7,11-13H,5-6,8-10H2,1H3,(H,23,24,28)
InChIKeyVVJGSDGOOGVQEA-UHFFFAOYSA-N
XLogP3.54
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (CID 123615821) is N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is CC1CC1(F)c1ccc(NC(=O)C2CCN(c3ccnc4nsnc34)CC2)nc1.
What is the InChIKey of N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The InChIKey is VVJGSDGOOGVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6OS/c1-12-10-20(12,21)14-2-3-16(23-11-14)24-19(28)13-5-8-27(9-6-13)15-4-7-22-18-17(15)25-29-26-18/h2-4,7,11-13H,5-6,8-10H2,1H3,(H,23,24,28).
What are the key properties of N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-fluoro-2-methylcyclopropyl)-2-pyridinyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 123615821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).