4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide

C26H23N5O2S — CID 118664938

IUPAC4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
SMILESNC1(c2ccc(-c3cnc4c(-c5ccc(S(N)(=O)=O)c6ccccc56)cnn4c3)cc2)CCC1
InChIInChI=1S/C26H23N5O2S/c27-26(12-3-13-26)19-8-6-17(7-9-19)18-14-29-25-23(15-30-31(25)16-18)21-10-11-24(34(28,32)33)22-5-2-1-4-20(21)22/h1-2,4-11,14-16H,3,12-13,27H2,(H2,28,32,33)
InChIKeyDHCFFPADGYZHRJ-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.20
Rot. Bonds4

About 4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide

4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide (PubChem CID 118664938) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is 4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
PubChem CID118664938
Molecular FormulaC26H23N5O2S
Molecular Weight469.57 g/mol
Exact Mass469.16
IUPAC Name4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide
SMILESNC1(c2ccc(-c3cnc4c(-c5ccc(S(N)(=O)=O)c6ccccc56)cnn4c3)cc2)CCC1
InChIInChI=1S/C26H23N5O2S/c27-26(12-3-13-26)19-8-6-17(7-9-19)18-14-29-25-23(15-30-31(25)16-18)21-10-11-24(34(28,32)33)22-5-2-1-4-20(21)22/h1-2,4-11,14-16H,3,12-13,27H2,(H2,28,32,33)
InChIKeyDHCFFPADGYZHRJ-UHFFFAOYSA-N
XLogP4.20
TPSA116.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The IUPAC name of 4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide (CID 118664938) is 4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide is NC1(c2ccc(-c3cnc4c(-c5ccc(S(N)(=O)=O)c6ccccc56)cnn4c3)cc2)CCC1.
What is the InChIKey of 4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
The InChIKey is DHCFFPADGYZHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c27-26(12-3-13-26)19-8-6-17(7-9-19)18-14-29-25-23(15-30-31(25)16-18)21-10-11-24(34(28,32)33)22-5-2-1-4-20(21)22/h1-2,4-11,14-16H,3,12-13,27H2,(H2,28,32,33).
What are the key properties of 4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide?
4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide has a molecular weight of 469.57 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(1-aminocyclobutyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 118664938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).