1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide

C23H22N6O2 — CID 134191647

IUPAC1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C23H22N6O2/c24-21(30)14-8-11-29(12-9-14)23(31)18-4-1-3-15-13-16(6-7-17(15)18)26-22-20-19(27-28-22)5-2-10-25-20/h1-7,10,13-14H,8-9,11-12H2,(H2,24,30)(H2,26,27,28)
InChIKeyFPYPLFOSNSAFAP-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.19
Rot. Bonds4

About 1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide

1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide (PubChem CID 134191647) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide
PubChem CID134191647
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C23H22N6O2/c24-21(30)14-8-11-29(12-9-14)23(31)18-4-1-3-15-13-16(6-7-17(15)18)26-22-20-19(27-28-22)5-2-10-25-20/h1-7,10,13-14H,8-9,11-12H2,(H2,24,30)(H2,26,27,28)
InChIKeyFPYPLFOSNSAFAP-UHFFFAOYSA-N
XLogP3.19
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide (CID 134191647) is 1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cccc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.
What is the InChIKey of 1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide?
The InChIKey is FPYPLFOSNSAFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c24-21(30)14-8-11-29(12-9-14)23(31)18-4-1-3-15-13-16(6-7-17(15)18)26-22-20-19(27-28-22)5-2-10-25-20/h1-7,10,13-14H,8-9,11-12H2,(H2,24,30)(H2,26,27,28).
What are the key properties of 1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide?
1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalene-1-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 134191647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).