3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C24H25F2N9O — CID 25257606

IUPAC3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnnn1-c1ccc(OCC2CC2)c(F)c1F
InChIInChI=1S/C24H25F2N9O/c25-21-19(3-4-20(22(21)26)36-13-14-1-2-14)35-24(31-32-33-35)18-9-15(10-29-23(18)27)16-11-30-34(12-16)17-5-7-28-8-6-17/h3-4,9-12,14,17,28H,1-2,5-8,13H2,(H2,27,29)
InChIKeyCKUZIHVMBRCTKH-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.16
Rot. Bonds7

About 3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 25257606) has the molecular formula C24H25F2N9O and a molecular weight of 493.52 g/mol. Its IUPAC name is 3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID25257606
Molecular FormulaC24H25F2N9O
Molecular Weight493.52 g/mol
Exact Mass493.22
IUPAC Name3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnnn1-c1ccc(OCC2CC2)c(F)c1F
InChIInChI=1S/C24H25F2N9O/c25-21-19(3-4-20(22(21)26)36-13-14-1-2-14)35-24(31-32-33-35)18-9-15(10-29-23(18)27)16-11-30-34(12-16)17-5-7-28-8-6-17/h3-4,9-12,14,17,28H,1-2,5-8,13H2,(H2,27,29)
InChIKeyCKUZIHVMBRCTKH-UHFFFAOYSA-N
XLogP3.16
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 25257606) is 3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnnn1-c1ccc(OCC2CC2)c(F)c1F.
What is the InChIKey of 3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is CKUZIHVMBRCTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N9O/c25-21-19(3-4-20(22(21)26)36-13-14-1-2-14)35-24(31-32-33-35)18-9-15(10-29-23(18)27)16-11-30-34(12-16)17-5-7-28-8-6-17/h3-4,9-12,14,17,28H,1-2,5-8,13H2,(H2,27,29).
What are the key properties of 3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 493.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 25257606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).