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

C23H25N7OS — CID 118644415

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3scc(-c4cnn(C)c4)c3n2)C1
InChIInChI=1S/C23H25N7OS/c1-14-7-16(24)12-30(10-14)20-5-6-25-9-19(20)28-23(31)18-3-4-21-22(27-18)17(13-32-21)15-8-26-29(2)11-15/h3-6,8-9,11,13-14,16H,7,10,12,24H2,1-2H3,(H,28,31)/t14-,16+/m1/s1
InChIKeyGOUJQEAUDOIIHS-ZBFHGGJFSA-N
MW447.57 g/mol
LogP3.52
Rot. Bonds4

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

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 118644415) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide
PubChem CID118644415
Molecular FormulaC23H25N7OS
Molecular Weight447.57 g/mol
Exact Mass447.18
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3scc(-c4cnn(C)c4)c3n2)C1
InChIInChI=1S/C23H25N7OS/c1-14-7-16(24)12-30(10-14)20-5-6-25-9-19(20)28-23(31)18-3-4-21-22(27-18)17(13-32-21)15-8-26-29(2)11-15/h3-6,8-9,11,13-14,16H,7,10,12,24H2,1-2H3,(H,28,31)/t14-,16+/m1/s1
InChIKeyGOUJQEAUDOIIHS-ZBFHGGJFSA-N
XLogP3.52
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

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-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide
CID 118644388
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)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-ethylthieno[3,2-b]pyridine-5-carboxamide
CID 118644369
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide
CID 118644412
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-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
CID 118644423
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,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide
CID 170647805
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine-5-carboxamide
CID 118644574
2-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(3-propan-2-ylthieno[3,2-b]pyridin-5-yl)ethanone
CID 159402464
3-(4-amino-2,6-difluorophenyl)-N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 169262346

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 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) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide is C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2ccc3scc(-c4cnn(C)c4)c3n2)C1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is GOUJQEAUDOIIHS-ZBFHGGJFSA-N. The full InChI is InChI=1S/C23H25N7OS/c1-14-7-16(24)12-30(10-14)20-5-6-25-9-19(20)28-23(31)18-3-4-21-22(27-18)17(13-32-21)15-8-26-29(2)11-15/h3-6,8-9,11,13-14,16H,7,10,12,24H2,1-2H3,(H,28,31)/t14-,16+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 447.57 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(1-methylpyrazol-4-yl)thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).