(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

C18H25N5O2 — CID 97368696

IUPAC(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc2c(n1)CN(c1cc(OC)ncn1)C[C@@H]2COCC1CC1
InChIInChI=1S/C18H25N5O2/c1-3-23-8-15-14(11-25-10-13-4-5-13)7-22(9-16(15)21-23)17-6-18(24-2)20-12-19-17/h6,8,12-14H,3-5,7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyKFKPCASPCCMXSC-CQSZACIVSA-N
MW343.43 g/mol
LogP2.23
Rot. Bonds7

About (4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine

(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (PubChem CID 97368696) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
PubChem CID97368696
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc2c(n1)CN(c1cc(OC)ncn1)C[C@@H]2COCC1CC1
InChIInChI=1S/C18H25N5O2/c1-3-23-8-15-14(11-25-10-13-4-5-13)7-22(9-16(15)21-23)17-6-18(24-2)20-12-19-17/h6,8,12-14H,3-5,7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyKFKPCASPCCMXSC-CQSZACIVSA-N
XLogP2.23
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97368711
(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 97383074
2-[[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 97383065
1-[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 97415435
1-[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-2-(dimethylamino)ethanone
CID 97415436
[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
CID 118744159
4-(cyclopropylmethoxymethyl)-2-ethyl-6-(thiophen-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 131659557
4-(cyclopropylmethoxymethyl)-6-(cyclopropylmethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 118745407
7-(ethoxymethyl)-5-(6-methoxypyrimidin-4-yl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 131659897
2-[(1S)-cyclopent-2-en-1-yl]-1-[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 97368716
[(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
CID 97368704
2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine
CID 134072206

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The IUPAC name of (4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine (CID 97368696) is (4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for (4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for (4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is CCn1cc2c(n1)CN(c1cc(OC)ncn1)C[C@@H]2COCC1CC1.
What is the InChIKey of (4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
The InChIKey is KFKPCASPCCMXSC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-23-8-15-14(11-25-10-13-4-5-13)7-22(9-16(15)21-23)17-6-18(24-2)20-12-19-17/h6,8,12-14H,3-5,7,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine?
(4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine has a molecular weight of 343.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(cyclopropylmethoxymethyl)-2-ethyl-6-(6-methoxypyrimidin-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 97368696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).