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

C22H25N5OS — CID 118644388

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3sc(C4CC4)cc3n2)C1
InChIInChI=1S/C22H25N5OS/c1-13-8-15(23)12-27(11-13)19-6-7-24-10-18(19)26-22(28)16-4-5-20-17(25-16)9-21(29-20)14-2-3-14/h4-7,9-10,13-15H,2-3,8,11-12,23H2,1H3,(H,26,28)/t13-,15+/m1/s1
InChIKeyLOABVHLVWPWLSL-HIFRSBDPSA-N
MW407.54 g/mol
LogP3.99
Rot. Bonds4

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

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide (PubChem CID 118644388) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide
PubChem CID118644388
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3sc(C4CC4)cc3n2)C1
InChIInChI=1S/C22H25N5OS/c1-13-8-15(23)12-27(11-13)19-6-7-24-10-18(19)26-22(28)16-4-5-20-17(25-16)9-21(29-20)14-2-3-14/h4-7,9-10,13-15H,2-3,8,11-12,23H2,1H3,(H,26,28)/t13-,15+/m1/s1
InChIKeyLOABVHLVWPWLSL-HIFRSBDPSA-N
XLogP3.99
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide
CID 118644412
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide
CID 118644415
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-3-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
CID 118644365
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
CID 118644574
N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-3-cyclopropylthieno[3,2-b]pyridine-5-carboxamide
CID 118644346
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-pyrimidin-5-ylfuro[3,2-b]pyridine-5-carboxamide
CID 118644525
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluoro-6-sulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 164928301
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-ethylthieno[3,2-b]pyridine-5-carboxamide
CID 118644369
2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-1-[2-(2-fluorophenyl)thieno[3,2-b]pyridin-5-yl]ethanone
CID 157420372
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide
CID 170647805
3-(4-amino-2,6-difluorophenyl)-N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 169262346
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
CID 118644423

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide (CID 118644388) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide is C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3sc(C4CC4)cc3n2)C1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is LOABVHLVWPWLSL-HIFRSBDPSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-13-8-15(23)12-27(11-13)19-6-7-24-10-18(19)26-22(28)16-4-5-20-17(25-16)9-21(29-20)14-2-3-14/h4-7,9-10,13-15H,2-3,8,11-12,23H2,1H3,(H,26,28)/t13-,15+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).