N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide

C28H27N5O2 — CID 66779954

IUPACN-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide
SMILESCn1ncc2ccc(-c3cc4nccc(-c5cccc(C(=O)N[C@@H]6CCCC[C@@H]6N)c5)c4o3)cc21
InChIInChI=1S/C28H27N5O2/c1-33-25-14-18(9-10-20(25)16-31-33)26-15-24-27(35-26)21(11-12-30-24)17-5-4-6-19(13-17)28(34)32-23-8-3-2-7-22(23)29/h4-6,9-16,22-23H,2-3,7-8,29H2,1H3,(H,32,34)/t22-,23+/m0/s1
InChIKeyPUPJBYQKQHGJGI-XZOQPEGZSA-N
MW465.56 g/mol
LogP5.05
Rot. Bonds4

About N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide

N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide (PubChem CID 66779954) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide
PubChem CID66779954
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC NameN-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide
SMILESCn1ncc2ccc(-c3cc4nccc(-c5cccc(C(=O)N[C@@H]6CCCC[C@@H]6N)c5)c4o3)cc21
InChIInChI=1S/C28H27N5O2/c1-33-25-14-18(9-10-20(25)16-31-33)26-15-24-27(35-26)21(11-12-30-24)17-5-4-6-19(13-17)28(34)32-23-8-3-2-7-22(23)29/h4-6,9-16,22-23H,2-3,7-8,29H2,1H3,(H,32,34)/t22-,23+/m0/s1
InChIKeyPUPJBYQKQHGJGI-XZOQPEGZSA-N
XLogP5.05
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide?
The IUPAC name of N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide (CID 66779954) is N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide.
What is the SMILES notation for N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide?
The canonical SMILES for N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide is Cn1ncc2ccc(-c3cc4nccc(-c5cccc(C(=O)N[C@@H]6CCCC[C@@H]6N)c5)c4o3)cc21.
What is the InChIKey of N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide?
The InChIKey is PUPJBYQKQHGJGI-XZOQPEGZSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-33-25-14-18(9-10-20(25)16-31-33)26-15-24-27(35-26)21(11-12-30-24)17-5-4-6-19(13-17)28(34)32-23-8-3-2-7-22(23)29/h4-6,9-16,22-23H,2-3,7-8,29H2,1H3,(H,32,34)/t22-,23+/m0/s1.
What are the key properties of N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide?
N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide has a molecular weight of 465.56 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-aminocyclohexyl]-3-[2-(1-methylindazol-6-yl)furo[3,2-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 66779954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).