N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C24H23N7S — CID 168774120

IUPACN-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc4c(-c5cc6cnccc6s5)c[nH]c4n3)c2)CC1
InChIInChI=1S/C24H23N7S/c1-30-7-9-31(10-8-30)18-4-2-3-17(12-18)28-24-27-15-20-19(14-26-23(20)29-24)22-11-16-13-25-6-5-21(16)32-22/h2-6,11-15H,7-10H2,1H3,(H2,26,27,28,29)
InChIKeyAJKXHWOOPHFHAC-UHFFFAOYSA-N
MW441.56 g/mol
LogP4.73
Rot. Bonds4

About N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168774120) has the molecular formula C24H23N7S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168774120
Molecular FormulaC24H23N7S
Molecular Weight441.56 g/mol
Exact Mass441.17
IUPAC NameN-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc4c(-c5cc6cnccc6s5)c[nH]c4n3)c2)CC1
InChIInChI=1S/C24H23N7S/c1-30-7-9-31(10-8-30)18-4-2-3-17(12-18)28-24-27-15-20-19(14-26-23(20)29-24)22-11-16-13-25-6-5-21(16)32-22/h2-6,11-15H,7-10H2,1H3,(H2,26,27,28,29)
InChIKeyAJKXHWOOPHFHAC-UHFFFAOYSA-N
XLogP4.73
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 69059062
N-(2,2-difluoroethyl)-6-[2-[3-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168773740
N-(4,4-difluorocyclohexyl)-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772851
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 154655048
3-methyl-5-[2-[3-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]thiophene-2-carbonitrile
CID 25261537
N-[3-(4-methylpiperazin-1-yl)phenyl]-8-prop-1-en-2-ylquinazolin-2-amine
CID 145226199
3-N-[3-(4-methylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 22344680
2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine
CID 66712536
CID 152989383
CID 152989383
5-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773612
N-[3-[5-chloro-2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 118354491
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(3-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646635

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168774120) is N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CN1CCN(c2cccc(Nc3ncc4c(-c5cc6cnccc6s5)c[nH]c4n3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is AJKXHWOOPHFHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7S/c1-30-7-9-31(10-8-30)18-4-2-3-17(12-18)28-24-27-15-20-19(14-26-23(20)29-24)22-11-16-13-25-6-5-21(16)32-22/h2-6,11-15H,7-10H2,1H3,(H2,26,27,28,29).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 441.56 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)phenyl]-5-thieno[3,2-c]pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168774120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).