3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine

C26H25FN10O2 — CID 58179673

IUPAC3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cnn([C@@H]3CCOC3)c2)cc1-c1nnnn1-c1cccc(-c2cnn([C@@H]3CCOC3)c2)c1F
InChIInChI=1S/C26H25FN10O2/c27-24-21(18-11-31-36(13-18)20-5-7-39-15-20)2-1-3-23(24)37-26(32-33-34-37)22-8-16(9-29-25(22)28)17-10-30-35(12-17)19-4-6-38-14-19/h1-3,8-13,19-20H,4-7,14-15H2,(H2,28,29)/t19-,20-/m1/s1
InChIKeyMSOLTAUKODPBQN-WOJBJXKFSA-N
MW528.55 g/mol
LogP3.10
Rot. Bonds6

About 3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine

3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine (PubChem CID 58179673) has the molecular formula C26H25FN10O2 and a molecular weight of 528.55 g/mol. Its IUPAC name is 3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine
PubChem CID58179673
Molecular FormulaC26H25FN10O2
Molecular Weight528.55 g/mol
Exact Mass528.21
IUPAC Name3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cnn([C@@H]3CCOC3)c2)cc1-c1nnnn1-c1cccc(-c2cnn([C@@H]3CCOC3)c2)c1F
InChIInChI=1S/C26H25FN10O2/c27-24-21(18-11-31-36(13-18)20-5-7-39-15-20)2-1-3-23(24)37-26(32-33-34-37)22-8-16(9-29-25(22)28)17-10-30-35(12-17)19-4-6-38-14-19/h1-3,8-13,19-20H,4-7,14-15H2,(H2,28,29)/t19-,20-/m1/s1
InChIKeyMSOLTAUKODPBQN-WOJBJXKFSA-N
XLogP3.10
TPSA136.61 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.55
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine (CID 58179673) is 3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine is Nc1ncc(-c2cnn([C@@H]3CCOC3)c2)cc1-c1nnnn1-c1cccc(-c2cnn([C@@H]3CCOC3)c2)c1F.
What is the InChIKey of 3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine?
The InChIKey is MSOLTAUKODPBQN-WOJBJXKFSA-N. The full InChI is InChI=1S/C26H25FN10O2/c27-24-21(18-11-31-36(13-18)20-5-7-39-15-20)2-1-3-23(24)37-26(32-33-34-37)22-8-16(9-29-25(22)28)17-10-30-35(12-17)19-4-6-38-14-19/h1-3,8-13,19-20H,4-7,14-15H2,(H2,28,29)/t19-,20-/m1/s1.
What are the key properties of 3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine?
3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine has a molecular weight of 528.55 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 58179673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).