N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide

C21H24N6O2S — CID 118644300

IUPACN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3sc(C4CC4)nc3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C21H24N6O2S/c1-11-9-27(10-13(22)18(11)28)16-6-7-23-8-15(16)25-20(29)14-4-5-17-19(24-14)26-21(30-17)12-2-3-12/h4-8,11-13,18,28H,2-3,9-10,22H2,1H3,(H,25,29)/t11-,13+,18+/m0/s1
InChIKeyZPZZMHWFVHJPNS-WHWRDJHUSA-N
MW424.53 g/mol
LogP2.36
Rot. Bonds4

About N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide (PubChem CID 118644300) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide
PubChem CID118644300
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide
SMILESC[C@H]1CN(c2ccncc2NC(=O)c2ccc3sc(C4CC4)nc3n2)C[C@@H](N)[C@@H]1O
InChIInChI=1S/C21H24N6O2S/c1-11-9-27(10-13(22)18(11)28)16-6-7-23-8-15(16)25-20(29)14-4-5-17-19(24-14)26-21(30-17)12-2-3-12/h4-8,11-13,18,28H,2-3,9-10,22H2,1H3,(H,25,29)/t11-,13+,18+/m0/s1
InChIKeyZPZZMHWFVHJPNS-WHWRDJHUSA-N
XLogP2.36
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide (CID 118644300) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide is C[C@H]1CN(c2ccncc2NC(=O)c2ccc3sc(C4CC4)nc3n2)C[C@@H](N)[C@@H]1O.
What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide?
The InChIKey is ZPZZMHWFVHJPNS-WHWRDJHUSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-11-9-27(10-13(22)18(11)28)16-6-7-23-8-15(16)25-20(29)14-4-5-17-19(24-14)26-21(30-17)12-2-3-12/h4-8,11-13,18,28H,2-3,9-10,22H2,1H3,(H,25,29)/t11-,13+,18+/m0/s1.
What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide?
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropyl-[1,3]thiazolo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).