N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide

C19H14N8OS — CID 148976599

IUPACN-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide
SMILESO=C(Nc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)ccn1)C1=CCC=N1
InChIInChI=1S/C19H14N8OS/c28-17(15-2-1-6-20-15)24-16-9-11(5-7-21-16)18-26-27-19(29-18)23-13-3-4-14-12(8-13)10-22-25-14/h2-10H,1H2,(H,22,25)(H,23,27)(H,21,24,28)
InChIKeyPUXPBJKDQGABIC-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.52
Rot. Bonds5

About N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide

N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide (PubChem CID 148976599) has the molecular formula C19H14N8OS and a molecular weight of 402.44 g/mol. Its IUPAC name is N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide
PubChem CID148976599
Molecular FormulaC19H14N8OS
Molecular Weight402.44 g/mol
Exact Mass402.10
IUPAC NameN-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide
SMILESO=C(Nc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)ccn1)C1=CCC=N1
InChIInChI=1S/C19H14N8OS/c28-17(15-2-1-6-20-15)24-16-9-11(5-7-21-16)18-26-27-19(29-18)23-13-3-4-14-12(8-13)10-22-25-14/h2-10H,1H2,(H,22,25)(H,23,27)(H,21,24,28)
InChIKeyPUXPBJKDQGABIC-UHFFFAOYSA-N
XLogP3.52
TPSA120.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide?
The IUPAC name of N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide (CID 148976599) is N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide.
What is the SMILES notation for N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide?
The canonical SMILES for N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide is O=C(Nc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)ccn1)C1=CCC=N1.
What is the InChIKey of N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide?
The InChIKey is PUXPBJKDQGABIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8OS/c28-17(15-2-1-6-20-15)24-16-9-11(5-7-21-16)18-26-27-19(29-18)23-13-3-4-14-12(8-13)10-22-25-14/h2-10H,1H2,(H,22,25)(H,23,27)(H,21,24,28).
What are the key properties of N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide?
N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide has a molecular weight of 402.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 148976599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).