6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C21H24N8O2 — CID 118206360

IUPAC6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCCNC(=O)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C
InChIInChI=1S/C21H24N8O2/c1-4-23-19(30)5-6-24-21(31)16-12-25-18(8-17(16)28-13(2)3)29-20-15(11-27-29)7-14(9-22)10-26-20/h7-8,10-13H,4-6H2,1-3H3,(H,23,30)(H,24,31)(H,25,28)
InChIKeySHXYRCGMACKPPB-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.76
Rot. Bonds8

About 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206360) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206360
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCCNC(=O)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C
InChIInChI=1S/C21H24N8O2/c1-4-23-19(30)5-6-24-21(31)16-12-25-18(8-17(16)28-13(2)3)29-20-15(11-27-29)7-14(9-22)10-26-20/h7-8,10-13H,4-6H2,1-3H3,(H,23,30)(H,24,31)(H,25,28)
InChIKeySHXYRCGMACKPPB-UHFFFAOYSA-N
XLogP1.76
TPSA137.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206360) is 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CCNC(=O)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC(C)C.
What is the InChIKey of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is SHXYRCGMACKPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-4-23-19(30)5-6-24-21(31)16-12-25-18(8-17(16)28-13(2)3)29-20-15(11-27-29)7-14(9-22)10-26-20/h7-8,10-13H,4-6H2,1-3H3,(H,23,30)(H,24,31)(H,25,28).
What are the key properties of 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[3-(ethylamino)-3-oxopropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).