[1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea

C24H22F2N8O — CID 174690656

IUPAC[1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea
SMILESNC(=O)NC1(c2ccc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cc2)CCCC1
InChIInChI=1S/C24H22F2N8O/c25-18-4-3-5-19(20(18)26)34-22(31-32-33-34)17-12-15(13-29-21(17)27)14-6-8-16(9-7-14)24(30-23(28)35)10-1-2-11-24/h3-9,12-13H,1-2,10-11H2,(H2,27,29)(H3,28,30,35)
InChIKeyISTIRYCRYSQSNR-UHFFFAOYSA-N
MW476.49 g/mol
LogP3.69
Rot. Bonds5

About [1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea

[1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea (PubChem CID 174690656) has the molecular formula C24H22F2N8O and a molecular weight of 476.49 g/mol. Its IUPAC name is [1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea.

Molecular Properties

Compound Name[1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea
PubChem CID174690656
Molecular FormulaC24H22F2N8O
Molecular Weight476.49 g/mol
Exact Mass476.19
IUPAC Name[1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea
SMILESNC(=O)NC1(c2ccc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cc2)CCCC1
InChIInChI=1S/C24H22F2N8O/c25-18-4-3-5-19(20(18)26)34-22(31-32-33-34)17-12-15(13-29-21(17)27)14-6-8-16(9-7-14)24(30-23(28)35)10-1-2-11-24/h3-9,12-13H,1-2,10-11H2,(H2,27,29)(H3,28,30,35)
InChIKeyISTIRYCRYSQSNR-UHFFFAOYSA-N
XLogP3.69
TPSA137.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea?
The IUPAC name of [1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea (CID 174690656) is [1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea.
What is the SMILES notation for [1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea?
The canonical SMILES for [1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea is NC(=O)NC1(c2ccc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)cc2)CCCC1.
What is the InChIKey of [1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea?
The InChIKey is ISTIRYCRYSQSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N8O/c25-18-4-3-5-19(20(18)26)34-22(31-32-33-34)17-12-15(13-29-21(17)27)14-6-8-16(9-7-14)24(30-23(28)35)10-1-2-11-24/h3-9,12-13H,1-2,10-11H2,(H2,27,29)(H3,28,30,35).
What are the key properties of [1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea?
[1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea has a molecular weight of 476.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]phenyl]cyclopentyl]urea is sourced from PubChem (CID 174690656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).