N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

C18H18N6S — CID 70729671

IUPACN-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1nc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)c2sccc2n1
InChIInChI=1S/C18H18N6S/c1-5-19-6-2-11(1)23-15-9-13(12-3-7-20-18(12)24-15)16-17-14(4-8-25-17)21-10-22-16/h3-4,7-11,19H,1-2,5-6H2,(H2,20,23,24)
InChIKeyNTHVDWKIIQUKCF-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.40
Rot. Bonds3

About N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine

N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70729671) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID70729671
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC NameN-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1nc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)c2sccc2n1
InChIInChI=1S/C18H18N6S/c1-5-19-6-2-11(1)23-15-9-13(12-3-7-20-18(12)24-15)16-17-14(4-8-25-17)21-10-22-16/h3-4,7-11,19H,1-2,5-6H2,(H2,20,23,24)
InChIKeyNTHVDWKIIQUKCF-UHFFFAOYSA-N
XLogP3.40
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56883354
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56901398
N-[(1R)-1-[4-[6-(piperidin-4-ylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]ethyl]acetamide
CID 95728145
4-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70726243
4-piperidin-4-yloxythieno[3,2-d]pyrimidine
CID 62344427
6-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7H-purin-2-amine
CID 70732467
4-phenyl-N-piperidin-4-ylquinolin-2-amine
CID 170459367
N-(3-piperidin-4-yloxypropyl)thieno[3,2-d]pyrimidin-4-amine
CID 63869511
4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine
CID 177381336
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine
CID 58661207

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70729671) is N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is c1nc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)c2sccc2n1.
What is the InChIKey of N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is NTHVDWKIIQUKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-5-19-6-2-11(1)23-15-9-13(12-3-7-20-18(12)24-15)16-17-14(4-8-25-17)21-10-22-16/h3-4,7-11,19H,1-2,5-6H2,(H2,20,23,24).
What are the key properties of N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 350.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-thieno[3,2-d]pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70729671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).