4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine

C27H41N7O — CID 143595403

IUPAC4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine
SMILESCCCC(C)N1CCN(c2ncnc3c2CCN(C(C)c2ccc(N4CCOCC4)nc2)C3)CC1
InChIInChI=1S/C27H41N7O/c1-4-5-21(2)31-10-12-33(13-11-31)27-24-8-9-34(19-25(24)29-20-30-27)22(3)23-6-7-26(28-18-23)32-14-16-35-17-15-32/h6-7,18,20-22H,4-5,8-17,19H2,1-3H3
InChIKeyJPCRARUYPUBMTE-UHFFFAOYSA-N
MW479.67 g/mol
LogP3.14
Rot. Bonds7

About 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine

4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine (PubChem CID 143595403) has the molecular formula C27H41N7O and a molecular weight of 479.67 g/mol. Its IUPAC name is 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine
PubChem CID143595403
Molecular FormulaC27H41N7O
Molecular Weight479.67 g/mol
Exact Mass479.34
IUPAC Name4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine
SMILESCCCC(C)N1CCN(c2ncnc3c2CCN(C(C)c2ccc(N4CCOCC4)nc2)C3)CC1
InChIInChI=1S/C27H41N7O/c1-4-5-21(2)31-10-12-33(13-11-31)27-24-8-9-34(19-25(24)29-20-30-27)22(3)23-6-7-26(28-18-23)32-14-16-35-17-15-32/h6-7,18,20-22H,4-5,8-17,19H2,1-3H3
InChIKeyJPCRARUYPUBMTE-UHFFFAOYSA-N
XLogP3.14
TPSA60.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

7-(4-methylpentan-2-yl)-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143595572
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
4-(4-butan-2-ylpiperazin-1-yl)-7-(2-methylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143595224
4-(7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)morpholine
CID 152780292
[(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid
CID 138676035
1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
CID 118482519
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
2-ethoxy-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 56879436
1-[4-(4-heptan-3-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-methylpentan-1-one
CID 143595570
N-[1-(4-iodophenyl)ethyl]-6-morpholin-4-ylpyridin-3-amine
CID 112831674
4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
CID 70754334

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine (CID 143595403) is 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine is CCCC(C)N1CCN(c2ncnc3c2CCN(C(C)c2ccc(N4CCOCC4)nc2)C3)CC1.
What is the InChIKey of 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine?
The InChIKey is JPCRARUYPUBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N7O/c1-4-5-21(2)31-10-12-33(13-11-31)27-24-8-9-34(19-25(24)29-20-30-27)22(3)23-6-7-26(28-18-23)32-14-16-35-17-15-32/h6-7,18,20-22H,4-5,8-17,19H2,1-3H3.
What are the key properties of 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine?
4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine has a molecular weight of 479.67 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[4-(4-pentan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 143595403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).