1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

C25H29N5O2 — CID 91937957

IUPAC1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCNc1cccc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc12
InChIInChI=1S/C25H29N5O2/c1-16(2)30-22-19(15-27-30)14-25(28-23(22)31)9-11-29(12-10-25)24(32)18-8-7-17-5-4-6-21(26-3)20(17)13-18/h4-8,13,15-16,26H,9-12,14H2,1-3H3,(H,28,31)
InChIKeyGYUROCZJFUSHIG-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.62
Rot. Bonds3

About 1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937957) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937957
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCNc1cccc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc12
InChIInChI=1S/C25H29N5O2/c1-16(2)30-22-19(15-27-30)14-25(28-23(22)31)9-11-29(12-10-25)24(32)18-8-7-17-5-4-6-21(26-3)20(17)13-18/h4-8,13,15-16,26H,9-12,14H2,1-3H3,(H,28,31)
InChIKeyGYUROCZJFUSHIG-UHFFFAOYSA-N
XLogP3.62
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937957) is 1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is CNc1cccc2ccc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)cc12.
What is the InChIKey of 1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is GYUROCZJFUSHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-16(2)30-22-19(15-27-30)14-25(28-23(22)31)9-11-29(12-10-25)24(32)18-8-7-17-5-4-6-21(26-3)20(17)13-18/h4-8,13,15-16,26H,9-12,14H2,1-3H3,(H,28,31).
What are the key properties of 1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 431.54 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[8-(methylamino)naphthalene-2-carbonyl]-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).