N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide

C27H27ClN8O2 — CID 134435305

IUPACN-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide
SMILESCC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCN)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C27H27ClN8O2/c1-27(34-26(37)24-22(28)3-2-9-31-24)6-10-35(11-7-27)23-5-4-18(15-32-23)21-13-20(38-12-8-29)17-36-25(21)19(14-30)16-33-36/h2-5,9,13,15-17H,6-8,10-12,29H2,1H3,(H,34,37)
InChIKeyROOVWOWTEJYCBN-UHFFFAOYSA-N
MW531.02 g/mol
LogP3.44
Rot. Bonds7

About N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide

N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide (PubChem CID 134435305) has the molecular formula C27H27ClN8O2 and a molecular weight of 531.02 g/mol. Its IUPAC name is N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide
PubChem CID134435305
Molecular FormulaC27H27ClN8O2
Molecular Weight531.02 g/mol
Exact Mass530.19
IUPAC NameN-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide
SMILESCC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCN)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C27H27ClN8O2/c1-27(34-26(37)24-22(28)3-2-9-31-24)6-10-35(11-7-27)23-5-4-18(15-32-23)21-13-20(38-12-8-29)17-36-25(21)19(14-30)16-33-36/h2-5,9,13,15-17H,6-8,10-12,29H2,1H3,(H,34,37)
InChIKeyROOVWOWTEJYCBN-UHFFFAOYSA-N
XLogP3.44
TPSA134.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.02
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide?
The IUPAC name of N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide (CID 134435305) is N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide?
The canonical SMILES for N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide is CC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCN)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide?
The InChIKey is ROOVWOWTEJYCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN8O2/c1-27(34-26(37)24-22(28)3-2-9-31-24)6-10-35(11-7-27)23-5-4-18(15-32-23)21-13-20(38-12-8-29)17-36-25(21)19(14-30)16-33-36/h2-5,9,13,15-17H,6-8,10-12,29H2,1H3,(H,34,37).
What are the key properties of N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide?
N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide has a molecular weight of 531.02 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[6-(2-aminoethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-3-chloropyridine-2-carboxamide is sourced from PubChem (CID 134435305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).