N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C30H33N9O — CID 163368343

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4nc5c(c(Nc6cc(C7CC7)[nH]n6)n4)CCC5)cn2)C3)cn1
InChIInChI=1S/C30H33N9O/c1-40-28-10-5-18(13-32-28)15-39-21-11-22(39)17-38(16-21)27-9-8-20(14-31-27)29-33-24-4-2-3-23(24)30(35-29)34-26-12-25(36-37-26)19-6-7-19/h5,8-10,12-14,19,21-22H,2-4,6-7,11,15-17H2,1H3,(H2,33,34,35,36,37)
InChIKeyKKOGTXOXSFLXSH-UHFFFAOYSA-N
MW535.66 g/mol
LogP4.24
Rot. Bonds8

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 163368343) has the molecular formula C30H33N9O and a molecular weight of 535.66 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID163368343
Molecular FormulaC30H33N9O
Molecular Weight535.66 g/mol
Exact Mass535.28
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4nc5c(c(Nc6cc(C7CC7)[nH]n6)n4)CCC5)cn2)C3)cn1
InChIInChI=1S/C30H33N9O/c1-40-28-10-5-18(13-32-28)15-39-21-11-22(39)17-38(16-21)27-9-8-20(14-31-27)29-33-24-4-2-3-23(24)30(35-29)34-26-12-25(36-37-26)19-6-7-19/h5,8-10,12-14,19,21-22H,2-4,6-7,11,15-17H2,1H3,(H2,33,34,35,36,37)
InChIKeyKKOGTXOXSFLXSH-UHFFFAOYSA-N
XLogP4.24
TPSA107.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.66
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 163368343) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COc1ccc(CN2C3CC2CN(c2ccc(-c4nc5c(c(Nc6cc(C7CC7)[nH]n6)n4)CCC5)cn2)C3)cn1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is KKOGTXOXSFLXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N9O/c1-40-28-10-5-18(13-32-28)15-39-21-11-22(39)17-38(16-21)27-9-8-20(14-31-27)29-33-24-4-2-3-23(24)30(35-29)34-26-12-25(36-37-26)19-6-7-19/h5,8-10,12-14,19,21-22H,2-4,6-7,11,15-17H2,1H3,(H2,33,34,35,36,37).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 535.66 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 163368343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).