(1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine

C23H34N8O3 — CID 169141038

IUPAC(1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC1CCOC1.CC1(NC(=O)O)CC1.c1cc(Nc2nc(C3CCNCC3)cn3nccc23)[nH]n1
InChIInChI=1S/C14H17N7.C5H9NO2.C4H8O/c1-5-15-6-2-10(1)11-9-21-12(3-8-17-21)14(18-11)19-13-4-7-16-20-13;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h3-4,7-10,15H,1-2,5-6H2,(H2,16,18,19,20);6H,2-3H2,1H3,(H,7,8);1-4H2
InChIKeyDHQDPLBFAVVWQR-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.27
Rot. Bonds4

About (1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine

(1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 169141038) has the molecular formula C23H34N8O3 and a molecular weight of 470.58 g/mol. Its IUPAC name is (1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name(1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID169141038
Molecular FormulaC23H34N8O3
Molecular Weight470.58 g/mol
Exact Mass470.28
IUPAC Name(1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC1CCOC1.CC1(NC(=O)O)CC1.c1cc(Nc2nc(C3CCNCC3)cn3nccc23)[nH]n1
InChIInChI=1S/C14H17N7.C5H9NO2.C4H8O/c1-5-15-6-2-10(1)11-9-21-12(3-8-17-21)14(18-11)19-13-4-7-16-20-13;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h3-4,7-10,15H,1-2,5-6H2,(H2,16,18,19,20);6H,2-3H2,1H3,(H,7,8);1-4H2
InChIKeyDHQDPLBFAVVWQR-UHFFFAOYSA-N
XLogP3.27
TPSA141.49 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of (1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine (CID 169141038) is (1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for (1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for (1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine is C1CCOC1.CC1(NC(=O)O)CC1.c1cc(Nc2nc(C3CCNCC3)cn3nccc23)[nH]n1.
What is the InChIKey of (1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DHQDPLBFAVVWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7.C5H9NO2.C4H8O/c1-5-15-6-2-10(1)11-9-21-12(3-8-17-21)14(18-11)19-13-4-7-16-20-13;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h3-4,7-10,15H,1-2,5-6H2,(H2,16,18,19,20);6H,2-3H2,1H3,(H,7,8);1-4H2.
What are the key properties of (1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
(1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 470.58 g/mol, XLogP of 3.27, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)carbamic acid;oxolane;6-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 169141038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).