1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide

C24H24N6O — CID 134191481

IUPAC1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide
SMILESC=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(C(N)=O)CC1
InChIInChI=1S/C24H24N6O/c1-15(30-12-9-16(10-13-30)23(25)31)19-5-2-4-17-14-18(7-8-20(17)19)27-24-22-21(28-29-24)6-3-11-26-22/h2-8,11,14,16H,1,9-10,12-13H2,(H2,25,31)(H2,27,28,29)
InChIKeyAEKMJWVJTYVKRN-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.02
Rot. Bonds5

About 1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide

1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide (PubChem CID 134191481) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide
PubChem CID134191481
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide
SMILESC=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(C(N)=O)CC1
InChIInChI=1S/C24H24N6O/c1-15(30-12-9-16(10-13-30)23(25)31)19-5-2-4-17-14-18(7-8-20(17)19)27-24-22-21(28-29-24)6-3-11-26-22/h2-8,11,14,16H,1,9-10,12-13H2,(H2,25,31)(H2,27,28,29)
InChIKeyAEKMJWVJTYVKRN-UHFFFAOYSA-N
XLogP4.02
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide (CID 134191481) is 1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide is C=C(c1cccc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide?
The InChIKey is AEKMJWVJTYVKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-15(30-12-9-16(10-13-30)23(25)31)19-5-2-4-17-14-18(7-8-20(17)19)27-24-22-21(28-29-24)6-3-11-26-22/h2-8,11,14,16H,1,9-10,12-13H2,(H2,25,31)(H2,27,28,29).
What are the key properties of 1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide?
1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-yl]ethenyl]piperidine-4-carboxamide is sourced from PubChem (CID 134191481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).