N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine

C25H31FN8S — CID 164709710

IUPACN-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine
SMILESCCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)[nH]nc5c4C)n3)nc2)CC1
InChIInChI=1S/C25H31FN8S/c1-5-33-8-10-34(11-9-33)14-17-6-7-19(27-12-17)29-25-28-13-18(26)22(30-25)23-16(4)21-24(35-23)20(15(2)3)31-32-21/h6-7,12-13,15H,5,8-11,14H2,1-4H3,(H,31,32)(H,27,28,29,30)
InChIKeyAPYOPBRMUVHHAP-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.93
Rot. Bonds7

About N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine

N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine (PubChem CID 164709710) has the molecular formula C25H31FN8S and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine
PubChem CID164709710
Molecular FormulaC25H31FN8S
Molecular Weight494.64 g/mol
Exact Mass494.24
IUPAC NameN-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine
SMILESCCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)[nH]nc5c4C)n3)nc2)CC1
InChIInChI=1S/C25H31FN8S/c1-5-33-8-10-34(11-9-33)14-17-6-7-19(27-12-17)29-25-28-13-18(26)22(30-25)23-16(4)21-24(35-23)20(15(2)3)31-32-21/h6-7,12-13,15H,5,8-11,14H2,1-4H3,(H,31,32)(H,27,28,29,30)
InChIKeyAPYOPBRMUVHHAP-UHFFFAOYSA-N
XLogP4.93
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 15979518
N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088569
N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155533686
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136495719
(2R)-3-phenyl-1-N-[7-(1H-pyrazol-5-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]propane-1,2-diamine
CID 89596261
(2S)-1-N-[2-(1-oxidopyridin-1-ium-4-yl)-7-(1H-pyrazol-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596275
(2S)-1-N-[2-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596296
(2S)-1-N-[7-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596344
(2S)-3-phenyl-1-N-[7-(1H-pyrazol-4-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]propane-1,2-diamine
CID 89596350
7-(1H-pyrazol-5-yl)-2-pyridin-4-yl-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89596356

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine (CID 164709710) is N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine is CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)[nH]nc5c4C)n3)nc2)CC1.
What is the InChIKey of N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine?
The InChIKey is APYOPBRMUVHHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN8S/c1-5-33-8-10-34(11-9-33)14-17-6-7-19(27-12-17)29-25-28-13-18(26)22(30-25)23-16(4)21-24(35-23)20(15(2)3)31-32-21/h6-7,12-13,15H,5,8-11,14H2,1-4H3,(H,31,32)(H,27,28,29,30).
What are the key properties of N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine?
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine has a molecular weight of 494.64 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(6-methyl-3-propan-2-yl-2H-thieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 164709710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).