2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C22H27N7O2 — CID 146339161

IUPAC2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-n3cc4c(n3)CCN(C3COC3)C4)c2)n1
InChIInChI=1S/C22H27N7O2/c1-14-8-21(23-2)26-22(24-14)25-16-4-5-20(30-3)19(9-16)29-11-15-10-28(17-12-31-13-17)7-6-18(15)27-29/h4-5,8-9,11,17H,6-7,10,12-13H2,1-3H3,(H2,23,24,25,26)
InChIKeyWMMNPDZUUWZHRD-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.52
Rot. Bonds6

About 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 146339161) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID146339161
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-n3cc4c(n3)CCN(C3COC3)C4)c2)n1
InChIInChI=1S/C22H27N7O2/c1-14-8-21(23-2)26-22(24-14)25-16-4-5-20(30-3)19(9-16)29-11-15-10-28(17-12-31-13-17)7-6-18(15)27-29/h4-5,8-9,11,17H,6-7,10,12-13H2,1-3H3,(H2,23,24,25,26)
InChIKeyWMMNPDZUUWZHRD-UHFFFAOYSA-N
XLogP2.52
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 146339161) is 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(OC)c(-n3cc4c(n3)CCN(C3COC3)C4)c2)n1.
What is the InChIKey of 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is WMMNPDZUUWZHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14-8-21(23-2)26-22(24-14)25-16-4-5-20(30-3)19(9-16)29-11-15-10-28(17-12-31-13-17)7-6-18(15)27-29/h4-5,8-9,11,17H,6-7,10,12-13H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 421.51 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-methoxy-3-[5-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 146339161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).