[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone

C19H24N4O2 — CID 118744159

IUPAC[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
SMILESCCn1cc2c(n1)CN(C(=O)c1ccncc1)CC2COCC1CC1
InChIInChI=1S/C19H24N4O2/c1-2-23-10-17-16(13-25-12-14-3-4-14)9-22(11-18(17)21-23)19(24)15-5-7-20-8-6-15/h5-8,10,14,16H,2-4,9,11-13H2,1H3
InChIKeySSROXRIWLWKFCO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.46
Rot. Bonds6

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

[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone (PubChem CID 118744159) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
PubChem CID118744159
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone
SMILESCCn1cc2c(n1)CN(C(=O)c1ccncc1)CC2COCC1CC1
InChIInChI=1S/C19H24N4O2/c1-2-23-10-17-16(13-25-12-14-3-4-14)9-22(11-18(17)21-23)19(24)15-5-7-20-8-6-15/h5-8,10,14,16H,2-4,9,11-13H2,1H3
InChIKeySSROXRIWLWKFCO-UHFFFAOYSA-N
XLogP2.46
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone (CID 118744159) is [4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone is CCn1cc2c(n1)CN(C(=O)c1ccncc1)CC2COCC1CC1.
What is the InChIKey of [4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone?
The InChIKey is SSROXRIWLWKFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-23-10-17-16(13-25-12-14-3-4-14)9-22(11-18(17)21-23)19(24)15-5-7-20-8-6-15/h5-8,10,14,16H,2-4,9,11-13H2,1H3.
What are the key properties of [4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone?
[4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone has a molecular weight of 340.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 118744159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).