4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine

C22H31N9 — CID 139310671

IUPAC4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(N3CCc4c(cnn4CC45CCCC(C4)C(N)CC5)C3)nc(N)nc21
InChIInChI=1S/C22H31N9/c1-29-19-16(11-25-29)20(28-21(24)27-19)30-8-5-18-15(12-30)10-26-31(18)13-22-6-2-3-14(9-22)17(23)4-7-22/h10-11,14,17H,2-9,12-13,23H2,1H3,(H2,24,27,28)
InChIKeyRDEFJQHUFRPNBX-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.00
Rot. Bonds3

About 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine

4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 139310671) has the molecular formula C22H31N9 and a molecular weight of 421.55 g/mol. Its IUPAC name is 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID139310671
Molecular FormulaC22H31N9
Molecular Weight421.55 g/mol
Exact Mass421.27
IUPAC Name4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(N3CCc4c(cnn4CC45CCCC(C4)C(N)CC5)C3)nc(N)nc21
InChIInChI=1S/C22H31N9/c1-29-19-16(11-25-29)20(28-21(24)27-19)30-8-5-18-15(12-30)10-26-31(18)13-22-6-2-3-14(9-22)17(23)4-7-22/h10-11,14,17H,2-9,12-13,23H2,1H3,(H2,24,27,28)
InChIKeyRDEFJQHUFRPNBX-UHFFFAOYSA-N
XLogP2.00
TPSA116.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine (CID 139310671) is 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine is Cn1ncc2c(N3CCc4c(cnn4CC45CCCC(C4)C(N)CC5)C3)nc(N)nc21.
What is the InChIKey of 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is RDEFJQHUFRPNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N9/c1-29-19-16(11-25-29)20(28-21(24)27-19)30-8-5-18-15(12-30)10-26-31(18)13-22-6-2-3-14(9-22)17(23)4-7-22/h10-11,14,17H,2-9,12-13,23H2,1H3,(H2,24,27,28).
What are the key properties of 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 421.55 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-amino-1-bicyclo[3.3.1]nonanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-1-methylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 139310671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).