7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C21H23N5O3 — CID 172615556

IUPAC7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)N[C@H]3CC(C)(C)c4ccccc43)ccnc2c1C(N)=O
InChIInChI=1S/C21H23N5O3/c1-21(2)10-14(12-6-4-5-7-13(12)21)24-20(28)16-8-9-23-19-17(18(22)27)15(11-29-3)25-26(16)19/h4-9,14H,10-11H2,1-3H3,(H2,22,27)(H,24,28)/t14-/m0/s1
InChIKeyJYVXSJXQZLQPKR-AWEZNQCLSA-N
MW393.45 g/mol
LogP2.13
Rot. Bonds5

About 7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615556) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615556
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCOCc1nn2c(C(=O)N[C@H]3CC(C)(C)c4ccccc43)ccnc2c1C(N)=O
InChIInChI=1S/C21H23N5O3/c1-21(2)10-14(12-6-4-5-7-13(12)21)24-20(28)16-8-9-23-19-17(18(22)27)15(11-29-3)25-26(16)19/h4-9,14H,10-11H2,1-3H3,(H2,22,27)(H,24,28)/t14-/m0/s1
InChIKeyJYVXSJXQZLQPKR-AWEZNQCLSA-N
XLogP2.13
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615556) is 7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is COCc1nn2c(C(=O)N[C@H]3CC(C)(C)c4ccccc43)ccnc2c1C(N)=O.
What is the InChIKey of 7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is JYVXSJXQZLQPKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-21(2)10-14(12-6-4-5-7-13(12)21)24-20(28)16-8-9-23-19-17(18(22)27)15(11-29-3)25-26(16)19/h4-9,14H,10-11H2,1-3H3,(H2,22,27)(H,24,28)/t14-/m0/s1.
What are the key properties of 7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).