[2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid

C30H25N5O4 — CID 68782120

IUPAC[2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid
SMILESO=C(O)NC1(c2ccc(-c3nc4ccnc(-c5cn[nH]c5)c4cc3-c3ccccc3)cc2)CC2(C1)OCCO2
InChIInChI=1S/C30H25N5O4/c36-28(37)35-29(17-30(18-29)38-12-13-39-30)22-8-6-20(7-9-22)27-23(19-4-2-1-3-5-19)14-24-25(34-27)10-11-31-26(24)21-15-32-33-16-21/h1-11,14-16,35H,12-13,17-18H2,(H,32,33)(H,36,37)
InChIKeyHIWXVFQUGCTFLH-UHFFFAOYSA-N
MW519.56 g/mol
LogP5.35
Rot. Bonds5

About [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid

[2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid (PubChem CID 68782120) has the molecular formula C30H25N5O4 and a molecular weight of 519.56 g/mol. Its IUPAC name is [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid.

Molecular Properties

Compound Name[2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid
PubChem CID68782120
Molecular FormulaC30H25N5O4
Molecular Weight519.56 g/mol
Exact Mass519.19
IUPAC Name[2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid
SMILESO=C(O)NC1(c2ccc(-c3nc4ccnc(-c5cn[nH]c5)c4cc3-c3ccccc3)cc2)CC2(C1)OCCO2
InChIInChI=1S/C30H25N5O4/c36-28(37)35-29(17-30(18-29)38-12-13-39-30)22-8-6-20(7-9-22)27-23(19-4-2-1-3-5-19)14-24-25(34-27)10-11-31-26(24)21-15-32-33-16-21/h1-11,14-16,35H,12-13,17-18H2,(H,32,33)(H,36,37)
InChIKeyHIWXVFQUGCTFLH-UHFFFAOYSA-N
XLogP5.35
TPSA122.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.56
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid?
The IUPAC name of [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid (CID 68782120) is [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid.
What is the SMILES notation for [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid?
The canonical SMILES for [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid is O=C(O)NC1(c2ccc(-c3nc4ccnc(-c5cn[nH]c5)c4cc3-c3ccccc3)cc2)CC2(C1)OCCO2.
What is the InChIKey of [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid?
The InChIKey is HIWXVFQUGCTFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O4/c36-28(37)35-29(17-30(18-29)38-12-13-39-30)22-8-6-20(7-9-22)27-23(19-4-2-1-3-5-19)14-24-25(34-27)10-11-31-26(24)21-15-32-33-16-21/h1-11,14-16,35H,12-13,17-18H2,(H,32,33)(H,36,37).
What are the key properties of [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid?
[2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid has a molecular weight of 519.56 g/mol, XLogP of 5.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid is sourced from PubChem (CID 68782120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).